BAS 01052098
TL;DR: BAS 01052098 (CAS 329073-29-2) is a chemical compound with molecular formula C24H31NO6S and molecular weight 461.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01052098, 2-(ethylsulfanyl)ethyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylsulfanyl)ethyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-(ETHYLSULFANYL)ETHYL 4-[4-(2-HYDROXYETHOXY)-3-METHOXYPHENYL]-2-METHYL-5-OXO-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CARBOXYLATE, 2-(ethylthio)ethyl 4-(4-(2-hydroxyethoxy)-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C24H31NO6S |
|---|---|
| Molecular Weight | 461.19 g/mol |
| LogP | 3.3305 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.1872 |
| Heavy Atoms | 32 |
| Complexity | 923.0646 |
Chemical Identifiers
| CAS Number | 329073-29-2 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCCO)OC)C(=O)CCC2)C |
Product Overview
BAS 01052098 (CAS 329073-29-2), with molecular formula C24H31NO6S and molecular weight 461.19 g/mol. IUPAC: 2-ethylsulfanylethyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01052098
Property Insights of BAS 01052098
The XLogP value of 3.3305 indicates that BAS 01052098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01052098. Following Lipinski's Rule of Five, BAS 01052098 has 2 hydrogen bond donor(s) and 8 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 01052098?
The CAS number of BAS 01052098 is 329073-29-2.
What is the molecular formula of BAS 01052098?
The molecular formula of BAS 01052098 is C24H31NO6S.
What is the molecular weight of BAS 01052098?
The molecular weight of BAS 01052098 is 461.19 g/mol.
Where can I buy BAS 01052098?
You can request a quote for BAS 01052098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01052098?
Yes, KEHONG BIO provides custom synthesis services for BAS 01052098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.