BAS 00915558
TL;DR: BAS 00915558 (CAS 312697-79-3) is a chemical compound with molecular formula C27H28ClNO5 and molecular weight 481.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00915558, ethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, ethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,6,7,8 -pentahydroquinoline-3-carboxylate
| Molecular Formula | C27H28ClNO5 |
|---|---|
| Molecular Weight | 481.17 g/mol |
| LogP | 5.369 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.1656 |
| Heavy Atoms | 34 |
| Complexity | 1182.0067 |
Chemical Identifiers
| CAS Number | 312697-79-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCC)C)O |
Product Overview
BAS 00915558 (CAS 312697-79-3), with molecular formula C27H28ClNO5 and molecular weight 481.17 g/mol. IUPAC: ethyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00915558
Property Insights of BAS 00915558
The XLogP value of 5.369 indicates that BAS 00915558 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 BAS 00915558. Following Lipinski's Rule of Five, BAS 00915558 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00915558?
The CAS number of BAS 00915558 is 312697-79-3.
What is the molecular formula of BAS 00915558?
The molecular formula of BAS 00915558 is C27H28ClNO5.
What is the molecular weight of BAS 00915558?
The molecular weight of BAS 00915558 is 481.17 g/mol.
Where can I buy BAS 00915558?
You can request a quote for BAS 00915558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00915558?
Yes, KEHONG BIO provides custom synthesis services for BAS 00915558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.