BAS 01052171
TL;DR: BAS 01052171 (CAS 330850-80-1) is a chemical compound with molecular formula C23H29NO5S and molecular weight 431.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01052171, AB00094488-01, 2-(ethylsulfanyl)ethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylsulfanyl)ethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-(ethylthio)ethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C23H29NO5S |
|---|---|
| Molecular Weight | 431.18 g/mol |
| LogP | 3.968 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.17664 |
| Heavy Atoms | 30 |
| Complexity | 889.5797 |
Chemical Identifiers
| CAS Number | 330850-80-1 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)OC)OC)C(=O)CCC2)C |
Product Overview
BAS 01052171 (CAS 330850-80-1), with molecular formula C23H29NO5S and molecular weight 431.18 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01052171
Property Insights of BAS 01052171
The XLogP value of 3.968 indicates that BAS 01052171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01052171. Following Lipinski's Rule of Five, BAS 01052171 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 01052171?
The CAS number of BAS 01052171 is 330850-80-1.
What is the molecular formula of BAS 01052171?
The molecular formula of BAS 01052171 is C23H29NO5S.
What is the molecular weight of BAS 01052171?
The molecular weight of BAS 01052171 is 431.18 g/mol.
Where can I buy BAS 01052171?
You can request a quote for BAS 01052171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01052171?
Yes, KEHONG BIO provides custom synthesis services for BAS 01052171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.