BAS 01404036
TL;DR: BAS 01404036 (CAS 330551-59-2) 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 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 01404036, AB00094352-01, methyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, A2040/0085724, methyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-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 | 1165.7047 |
Chemical Identifiers
| CAS Number | 330551-59-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC)C)O |
Product Overview
BAS 01404036 (CAS 330551-59-2), with molecular formula C26H26ClNO5 and molecular weight 467.15 g/mol. IUPAC: methyl 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 01404036
Property Insights of BAS 01404036
The XLogP value of 4.9789 indicates that BAS 01404036 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 01404036. Following Lipinski's Rule of Five, BAS 01404036 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 BAS 01404036?
The CAS number of BAS 01404036 is 330551-59-2.
What is the molecular formula of BAS 01404036?
The molecular formula of BAS 01404036 is C26H26ClNO5.
What is the molecular weight of BAS 01404036?
The molecular weight of BAS 01404036 is 467.15 g/mol.
Where can I buy BAS 01404036?
You can request a quote for BAS 01404036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01404036?
Yes, KEHONG BIO provides custom synthesis services for BAS 01404036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.