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tert-butyl 3-iodo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-6-carboxylate - 97%, high purity , CAS No.1638765-22-6

COA

Grade & Purity:

≥97%

Cas Number: 1638765-22-6
Molecular Weight: 349.17
EC Number: 866-733-0
MDL number: MFCD11518996
PubChem CID: 118561331

In stock

Item Number

T630040

Grouped product items
SKU	Size	Availability	Price
T630040-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90
T630040-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$232.90
T630040-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
T630040-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90
T630040-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,911.90

Basic Description

Synonyms	starbld0044429 \| EN300-7161256 \| SCHEMBL17317597 \| tert-butyl 3-iodo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate \| 1638765-22-6 \| SB22011 \| SY324390 \| 6-Boc-3-iodo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine \| MFCD28502764 \| P21123 \| 6-Boc-3
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazoles
Alternative Parents	Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Hydrazones Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Heteroaromatic compound - Carbamic acid ester - Pyrazole - Carbonic acid derivative - Azacycle - Hydrazone - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
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 3-iodo-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
INCHI	InChI=1S/C11H16IN3O2/c1-11(2,3)17-10(16)15-5-4-7-8(6-15)13-14-9(7)12/h4-6H2,1-3H3,(H,13,14)
InChIKey	LYCQKRAQASWYKU-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2I
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2I
Alternate CAS	1638765-22-6
PubChem CID	118561331
Molecular Weight	349.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	349.170 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	349.029 Da
Monoisotopic Mass	349.029 Da
Topological Polar Surface Area	58.200 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	306.000
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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