AB00094477-01
TL;DR: AB00094477-01 (CAS 330646-23-6) is a chemical compound with molecular formula C28H31NO6 and molecular weight 477.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: AB00094477-01, ethyl 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pen tahydroquinoline-3-carboxylate, ethyl 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C28H31NO6 |
|---|---|
| Molecular Weight | 477.22 g/mol |
| LogP | 4.6371 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.21515 |
| Heavy Atoms | 35 |
| Complexity | 1194.4282 |
Chemical Identifiers
| CAS Number | 330646-23-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)OC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C |
Product Overview
AB00094477-01 (CAS 330646-23-6), with molecular formula C28H31NO6 and molecular weight 477.22 g/mol. IUPAC: ethyl 4-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of AB00094477-01
Property Insights of AB00094477-01
The XLogP value of 4.6371 indicates that AB00094477-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00094477-01. Following Lipinski's Rule of Five, AB00094477-01 has 1 hydrogen bond donor(s) and 7 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 AB00094477-01?
The CAS number of AB00094477-01 is 330646-23-6.
What is the molecular formula of AB00094477-01?
The molecular formula of AB00094477-01 is C28H31NO6.
What is the molecular weight of AB00094477-01?
The molecular weight of AB00094477-01 is 477.22 g/mol.
Where can I buy AB00094477-01?
You can request a quote for AB00094477-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00094477-01?
Yes, KEHONG BIO provides custom synthesis services for AB00094477-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.