AB00094695-01
TL;DR: AB00094695-01 (CAS 312599-01-2) is a chemical compound with molecular formula C26H26ClNO5 and molecular weight 467.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: AB00094695-01, methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C26H26ClNO5 |
|---|---|
| Molecular Weight | 467.15 g/mol |
| LogP | 4.9789 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.14996 |
| Heavy Atoms | 33 |
| Complexity | 1168.7047 |
Chemical Identifiers
| CAS Number | 312599-01-2 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC)C)Cl)O |
Product Overview
AB00094695-01 (CAS 312599-01-2), with molecular formula C26H26ClNO5 and molecular weight 467.15 g/mol. IUPAC: methyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of AB00094695-01
Property Insights of AB00094695-01
The XLogP value of 4.9789 indicates that AB00094695-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00094695-01. Following Lipinski's Rule of Five, AB00094695-01 has 2 hydrogen bond donor(s) and 6 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 AB00094695-01?
The CAS number of AB00094695-01 is 312599-01-2.
What is the molecular formula of AB00094695-01?
The molecular formula of AB00094695-01 is C26H26ClNO5.
What is the molecular weight of AB00094695-01?
The molecular weight of AB00094695-01 is 467.15 g/mol.
Where can I buy AB00094695-01?
You can request a quote for AB00094695-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00094695-01?
Yes, KEHONG BIO provides custom synthesis services for AB00094695-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.