RefChem:268660
TL;DR: RefChem:268660 (CAS 64670-58-2) is a chemical compound with molecular formula C31H28N2O6 and molecular weight 524.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4S,5R,6S)-2-benzoyl-3-benzoyloxy-6-hydroxy-6-methyl-4-phenyl-5,7-dihydro-4H-indazole-5-carboxylate
Also Known As: 2(H)-Benzoyl-3-benzoyloxy-5-carbethoxy-6-hydroxy-6-methyl-4-phenyl-4,5,6,7-tetrahydroindazole, 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 2-benzoyl-3-(benzoyloxy)-6-hydroxy-6-methyl-4-phenyl-, ethyl ester, (4-alpha,5-beta,6-alpha)-, ethyl (4S,5R,6S)-2-benzoyl-3-benzoyloxy-6-hydroxy-6-methyl-4-phenyl-5,7-dihydro-4H-indazole-5-carboxylate, ETHYL (4S,5R,6S)-2-BENZOYL-3-(BENZOYLOXY)-6-HYDROXY-6-METHYL-4-PHENYL-4,5,6,7-TETRAHYDRO-2H-INDAZOLE-5-CARBOXYLATE, RefChem:268660
| Molecular Formula | C31H28N2O6 |
|---|---|
| Molecular Weight | 524.19 g/mol |
| LogP | 4.4091 |
| Topological Polar Surface Area | 107.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.19476 |
| Heavy Atoms | 39 |
| Complexity | 1496.3483 |
Chemical Identifiers
| CAS Number | 64670-58-2 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1[C@H](C2=C(N(N=C2C[C@]1(C)O)C(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
RefChem:268660 (CAS 64670-58-2), with molecular formula C31H28N2O6 and molecular weight 524.19 g/mol. IUPAC: ethyl (4S,5R,6S)-2-benzoyl-3-benzoyloxy-6-hydroxy-6-methyl-4-phenyl-5,7-dihydro-4H-indazole-5-carboxylate.
Chemical Property Profile of RefChem:268660
Property Insights of RefChem:268660
The XLogP value of 4.4091 indicates that RefChem:268660 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:268660. Following Lipinski's Rule of Five, RefChem:268660 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:268660?
The CAS number of RefChem:268660 is 64670-58-2.
What is the molecular formula of RefChem:268660?
The molecular formula of RefChem:268660 is C31H28N2O6.
What is the molecular weight of RefChem:268660?
The molecular weight of RefChem:268660 is 524.19 g/mol.
Where can I buy RefChem:268660?
You can request a quote for RefChem:268660 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:268660?
Yes, KEHONG BIO provides custom synthesis services for RefChem:268660 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.