2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-
TL;DR: 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)- (CAS 64670-50-4) is a chemical compound with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2-pyridin-2-yl-1,4,5,7-tetrahydroindazole-5-carboxylate
Also Known As: 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-, Ethyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-2-(pyridin-2-yl)-2,3,4,5,6,7-hexahydro-1H-indazole-5-carboxylate, Ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2-(pyridin-2-yl)-2,3,4,5,6,7-hexahydro-1H-indazole-5-carboxylate, ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2-pyridin-2-yl-1,4,5,7-tetrahydroindazole-5-carboxylate, RefChem:1084996
| Molecular Formula | C22H23N3O4 |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 2.1789 |
| Topological Polar Surface Area | 97.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.16885 |
| Heavy Atoms | 29 |
| Complexity | 1070.4418 |
Chemical Identifiers
| CAS Number | 64670-50-4 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1[C@H](C2=C(C[C@]1(C)O)NN(C2=O)C3=CC=CC=N3)C4=CC=CC=C4 |
Product Overview
2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)- (CAS 64670-50-4), with molecular formula C22H23N3O4 and molecular weight 393.17 g/mol. IUPAC: ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2-pyridin-2-yl-1,4,5,7-tetrahydroindazole-5-carboxylate.
Chemical Property Profile of 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-
Property Insights of 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-
The XLogP value of 2.1789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-. The TPSA of 97.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-. Following Lipinski's Rule of Five, 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-?
The CAS number of 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)- is 64670-50-4.
What is the molecular formula of 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-?
The molecular formula of 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)- is C22H23N3O4.
What is the molecular weight of 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-?
The molecular weight of 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)- is 393.17 g/mol.
Where can I buy 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-?
You can request a quote for 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-2-(2-pyridinyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.