RefChem:238409
TL;DR: RefChem:238409 (CAS 64670-60-6) is a chemical compound with molecular formula C31H32N2O4 and molecular weight 496.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4S,5R,6S)-1-benzyl-6-hydroxy-6-methyl-4-phenyl-3-phenylmethoxy-5,7-dihydro-4H-indazole-5-carboxylate
Also Known As: 1-Benzyl-3-benzyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole, 1H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 6-hydroxy-6-methyl-4-phenyl-3-(phenylmethoxy)-1-(phenylmethyl)-, ethyl ester, (4-alpha,5-beta,6-alpha)-, Ethyl (4S,5R,6S)-1-benzyl-3-(benzyloxy)-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate, ethyl (4S,5R,6S)-1-benzyl-6-hydroxy-6-methyl-4-phenyl-3-phenylmethoxy-5,7-dihydro-4H-indazole-5-carboxylate, RefChem:238409
| Molecular Formula | C31H32N2O4 |
|---|---|
| Molecular Weight | 496.24 g/mol |
| LogP | 5.1287 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.2362 |
| Heavy Atoms | 37 |
| Complexity | 1333.9077 |
Chemical Identifiers
| CAS Number | 64670-60-6 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1[C@H](C2=C(C[C@]1(C)O)N(N=C2OCC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
RefChem:238409 (CAS 64670-60-6), with molecular formula C31H32N2O4 and molecular weight 496.24 g/mol. IUPAC: ethyl (4S,5R,6S)-1-benzyl-6-hydroxy-6-methyl-4-phenyl-3-phenylmethoxy-5,7-dihydro-4H-indazole-5-carboxylate.
Chemical Property Profile of RefChem:238409
Property Insights of RefChem:238409
The XLogP value of 5.1287 indicates that RefChem:238409 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:238409. Following Lipinski's Rule of Five, RefChem:238409 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:238409?
The CAS number of RefChem:238409 is 64670-60-6.
What is the molecular formula of RefChem:238409?
The molecular formula of RefChem:238409 is C31H32N2O4.
What is the molecular weight of RefChem:238409?
The molecular weight of RefChem:238409 is 496.24 g/mol.
Where can I buy RefChem:238409?
You can request a quote for RefChem:238409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:238409?
Yes, KEHONG BIO provides custom synthesis services for RefChem:238409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.