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5-tert-butoxycarbonyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid - 97%, high purity , CAS No.1160248-35-0

COA

Grade & Purity:

≥97%

Cas Number: 1160248-35-0
Molecular Weight: 253.25
MDL number: MFCD12198804
PubChem CID: 45489922

In stock

Item Number

T627060

Grouped product items
SKU	Size	Availability	Price
T627060-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$77.90
T627060-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$127.90
T627060-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$210.90
T627060-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$368.90
T627060-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,839.90

Basic Description

Synonyms	DTXSID40670509 \| 5-(t-Butoxycarbonyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylic acid \| 1160248-35-0 \| CS-D1078 \| AS-74423 \| AM802993 \| SY013965 \| 5-[(TERT-BUTOXY)CARBONYL]-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLIC ACID \| PB24022 \| PYRROL
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolopyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolopyrazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolopyrazoles
Alternative Parents	Pyrazole carboxylic acids and derivatives Pyrroles Heteroaromatic compounds Carbamate esters Tertiary amines Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Pyrrolopyrazole - Azole - Heteroaromatic compound - Pyrazole - Carbamic acid ester - Pyrrole - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolopyrazoles. These are polycyclic aromatic compounds containing a pyrrole fused to a pyrazole ring. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazole is a 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers.
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	5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid
INCHI	InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-4-6-7(5-14)12-13-8(6)9(15)16/h4-5H2,1-3H3,(H,12,13)(H,15,16)
InChIKey	SBFDXYJFMPRVOE-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2C(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2C(=O)O
Alternate CAS	1160248-35-0
PubChem CID	45489922
Molecular Weight	253.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	253.250 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	253.106 Da
Monoisotopic Mass	253.106 Da
Topological Polar Surface Area	95.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	366.000
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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