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1588-A4 , CAS No.1698027-20-1

COA

Cas Number: 1698027-20-1
Molecular Weight: 445.70
PubChem CID: 118010241

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Item Number

A412361

Grouped product items
SKU	Size	Availability	Price
A412361-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
A412361-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
A412361-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
A412361-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$289.90
A412361-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$813.90

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ARS-1620 intermediates (1)

Basic Description

Synonyms	1698027-20-1 \| tert-Butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate \| 1-Piperazinecarboxylic acid, 4-(7-bromo-6-chloro-8-fluoro-4-quinazolinyl)-, 1,1-dimethylethyl ester \| 1588-A4 \| ARS-1620 Intermediate \| SCHEMBL16636962 \| WKUMTSOYOFGRSM-U
Biochemical and Physiological Mechanisms	1588-A4 (ARS-1620 Intermediate) is the ARS-1620 intermediate. ARS-1620 is an atropisomeric selective KRASG12C inhibitor with desirable pharmacokinetics.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information 1588-A4 (ARS-1620 Intermediate) is the ARS-1620 intermediate. ARS-1620 is an atropisomeric selective KRASG12C inhibitor with desirable pharmacokinetics.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	N-arylpiperazines
Alternative Parents	Quinazolinamines Piperazine carboxylic acids Dialkylarylamines Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Benzenoids Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Vinyl fluorides Vinyl chlorides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Chloroalkenes Carboximidamides Bromoalkenes Azacyclic compounds Amidines Organopnictogen compounds Organooxygen compounds Organofluorides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-arylpiperazine - Quinazolinamine - Diazanaphthalene - Quinazoline - Piperazine-1-carboxylic acid - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - 5,6-dihydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Carbonic acid derivative - Azacycle - Fluoroalkene - Chloroalkene - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl fluoride - Vinyl chloride - Vinyl bromide - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl 4-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)piperazine-1-carboxylate
INCHI	InChI=1S/C17H19BrClFN4O2/c1-17(2,3)26-16(25)24-6-4-23(5-7-24)15-10-8-11(19)12(18)13(20)14(10)21-9-22-15/h8-9H,4-7H2,1-3H3
InChIKey	WKUMTSOYOFGRSM-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)Br)F
Isomeric SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)Br)F
Molecular Weight	445.70
Reaxy-Rn	28150193
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28150193&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	445.700 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	444.036 Da
Monoisotopic Mass	444.036 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	515.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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