3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole
TL;DR: 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole (CAS 64670-56-0) is a chemical compound with molecular formula C24H26N2O4 and molecular weight 406.19 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-4-phenyl-3-phenylmethoxy-1,4,5,7-tetrahydroindazole-5-carboxylate
Also Known As: 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole, 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 6-hydroxy-6-methyl-4-phenyl-3-(phenylmethoxy)-, ethyl ester, (4-alpha,5-beta,6-alpha)-, Ethyl (4S,5R,6S)-3-(benzyloxy)-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate, ethyl (4S,5R,6S)-6-hydroxy-6-methyl-4-phenyl-3-phenylmethoxy-1,4,5,7-tetrahydroindazole-5-carboxylate, RefChem:268666
| Molecular Formula | C24H26N2O4 |
|---|---|
| Molecular Weight | 406.19 g/mol |
| LogP | 3.607 |
| Topological Polar Surface Area | 84.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.18927 |
| Heavy Atoms | 30 |
| Complexity | 998.5601 |
Chemical Identifiers
| CAS Number | 64670-56-0 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1[C@H](C2=C(C[C@]1(C)O)NN=C2OCC3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole (CAS 64670-56-0), with molecular formula C24H26N2O4 and molecular weight 406.19 g/mol. IUPAC: ethyl (4S,5R,6S)-6-hydroxy-6-methyl-4-phenyl-3-phenylmethoxy-1,4,5,7-tetrahydroindazole-5-carboxylate.
Chemical Property Profile of 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole
Property Insights of 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole
The XLogP value of 3.607 indicates that 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole. Following Lipinski's Rule of Five, 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole 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 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole?
The CAS number of 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole is 64670-56-0.
What is the molecular formula of 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole?
The molecular formula of 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole is C24H26N2O4.
What is the molecular weight of 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole?
The molecular weight of 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole is 406.19 g/mol.
Where can I buy 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole?
You can request a quote for 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.