5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole
TL;DR: 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole (CAS 64670-43-5) is a chemical compound with molecular formula C17H20N2O4 and molecular weight 316.14 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-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate
Also Known As: 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole, 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-, Ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2,3,4,5,6,7-hexahydro-1H-indazole-5-carboxylate, ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate, RefChem:268663
| Molecular Formula | C17H20N2O4 |
|---|---|
| Molecular Weight | 316.14 g/mol |
| LogP | 1.3213 |
| Topological Polar Surface Area | 95.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.1423 |
| Heavy Atoms | 23 |
| Complexity | 760.4006 |
Chemical Identifiers
| CAS Number | 64670-43-5 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1[C@H](C2=C(C[C@]1(C)O)NNC2=O)C3=CC=CC=C3 |
Product Overview
5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole (CAS 64670-43-5), with molecular formula C17H20N2O4 and molecular weight 316.14 g/mol. IUPAC: ethyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate.
Chemical Property Profile of 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole
Property Insights of 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole
The XLogP value of 1.3213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole. The TPSA of 95.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole. Following Lipinski's Rule of Five, 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole has 3 hydrogen bond donor(s) and 4 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 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole?
The CAS number of 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole is 64670-43-5.
What is the molecular formula of 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole?
The molecular formula of 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole is C17H20N2O4.
What is the molecular weight of 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole?
The molecular weight of 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole is 316.14 g/mol.
Where can I buy 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole?
You can request a quote for 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Carbethoxy-3,6-dihydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-2H-indazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.