BAS 11409592
TL;DR: BAS 11409592 (CAS 64670-47-9) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate
Also Known As: BAS 11409592, 2H-Indazole-5-carboxylic acid, 4,5,6,7-tetrahydro-, 3,6-dihydroxy-6-methyl-4-phenyl-, methyl ester, (4-alpha,5-beta,6-alpha)-, Methyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2,3,4,5,6,7-hexahydro-1H-indazole-5-carboxylate, methyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate, RefChem:268664
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 0.9312 |
| Topological Polar Surface Area | 95.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 745.00635 |
Chemical Identifiers
| CAS Number | 64670-47-9 |
|---|---|
| SMILES | C[C@@]1(CC2=C([C@@H]([C@H]1C(=O)OC)C3=CC=CC=C3)C(=O)NN2)O |
Product Overview
BAS 11409592 (CAS 64670-47-9), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: methyl (4S,5R,6S)-6-hydroxy-6-methyl-3-oxo-4-phenyl-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate.
Chemical Property Profile of BAS 11409592
Property Insights of BAS 11409592
The XLogP value of 0.9312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11409592. The TPSA of 95.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11409592. Following Lipinski's Rule of Five, BAS 11409592 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 BAS 11409592?
The CAS number of BAS 11409592 is 64670-47-9.
What is the molecular formula of BAS 11409592?
The molecular formula of BAS 11409592 is C16H18N2O4.
What is the molecular weight of BAS 11409592?
The molecular weight of BAS 11409592 is 302.13 g/mol.
Where can I buy BAS 11409592?
You can request a quote for BAS 11409592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11409592?
Yes, KEHONG BIO provides custom synthesis services for BAS 11409592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.