BAS 01052110
TL;DR: BAS 01052110 (CAS 330848-82-3) is a chemical compound with molecular formula C23H28FNO3S and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 01052110, 2-(ethylsulfanyl)ethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylsulfanyl)ethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-(ethylthio)ethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C23H28FNO3S |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 4.726 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1774 |
| Heavy Atoms | 29 |
| Complexity | 887.8641 |
Chemical Identifiers
| CAS Number | 330848-82-3 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3F)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 01052110 (CAS 330848-82-3), with molecular formula C23H28FNO3S and molecular weight 417.18 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 01052110
Property Insights of BAS 01052110
The XLogP value of 4.726 indicates that BAS 01052110 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 01052110 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01052110 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 01052110?
The CAS number of BAS 01052110 is 330848-82-3.
What is the molecular formula of BAS 01052110?
The molecular formula of BAS 01052110 is C23H28FNO3S.
What is the molecular weight of BAS 01052110?
The molecular weight of BAS 01052110 is 417.18 g/mol.
Where can I buy BAS 01052110?
You can request a quote for BAS 01052110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01052110?
Yes, KEHONG BIO provides custom synthesis services for BAS 01052110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.