BAS 01052126
TL;DR: BAS 01052126 (CAS 329073-39-4) is a chemical compound with molecular formula C22H27NO3S and molecular weight 385.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01052126, AB00094465-01, 2-(ethylsulfanyl)ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylsulfanyl)ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-(ETHYLSULFANYL)ETHYL 2-METHYL-4-(4-METHYLPHENYL)-5-OXO-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CARBOXYLATE
| Molecular Formula | C22H27NO3S |
|---|---|
| Molecular Weight | 385.17 g/mol |
| LogP | 4.25922 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.17117 |
| Heavy Atoms | 27 |
| Complexity | 792.2808 |
Chemical Identifiers
| CAS Number | 329073-39-4 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C)C(=O)CCC2)C |
Product Overview
BAS 01052126 (CAS 329073-39-4), with molecular formula C22H27NO3S and molecular weight 385.17 g/mol. IUPAC: 2-ethylsulfanylethyl 2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01052126
Property Insights of BAS 01052126
The XLogP value of 4.25922 indicates that BAS 01052126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 01052126 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01052126 has 1 hydrogen bond donor(s) and 5 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 01052126?
The CAS number of BAS 01052126 is 329073-39-4.
What is the molecular formula of BAS 01052126?
The molecular formula of BAS 01052126 is C22H27NO3S.
What is the molecular weight of BAS 01052126?
The molecular weight of BAS 01052126 is 385.17 g/mol.
Where can I buy BAS 01052126?
You can request a quote for BAS 01052126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01052126?
Yes, KEHONG BIO provides custom synthesis services for BAS 01052126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.