BAS 00410735
TL;DR: BAS 00410735 (CAS 78080-70-3) is a chemical compound with molecular formula C24H31NO6 and molecular weight 429.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00410735, ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate, 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-5-oxo-4-(3,4,5-trimethoxyphenyl)-2,7,7-trimethyl-, ethyl ester, ETHYL 2,7,7-TRIMETHYL-5-OXO-4-(3,4,5-TRIMETHOXYPHENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE
| Molecular Formula | C24H31NO6 |
|---|---|
| Molecular Weight | 429.22 g/mol |
| LogP | 3.8795 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.21515 |
| Heavy Atoms | 31 |
| Complexity | 947.2768 |
Chemical Identifiers
| CAS Number | 78080-70-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00410735 (CAS 78080-70-3), with molecular formula C24H31NO6 and molecular weight 429.22 g/mol. IUPAC: ethyl 2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00410735
Property Insights of BAS 00410735
The XLogP value of 3.8795 indicates that BAS 00410735 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 BAS 00410735. Following Lipinski's Rule of Five, BAS 00410735 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 BAS 00410735?
The CAS number of BAS 00410735 is 78080-70-3.
What is the molecular formula of BAS 00410735?
The molecular formula of BAS 00410735 is C24H31NO6.
What is the molecular weight of BAS 00410735?
The molecular weight of BAS 00410735 is 429.22 g/mol.
Where can I buy BAS 00410735?
You can request a quote for BAS 00410735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410735?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.