BAS 09589387
TL;DR: BAS 09589387 (CAS 1005087-19-3) is a chemical compound with molecular formula C24H29NO5S and molecular weight 443.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-(2-ethylsulfanylethyl) 6-O-methyl 2,7-dimethyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: BAS 09589387, 3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-(2-(ethylthio)ethyl) 6-methyl 2,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-O-(2-ethylsulfanylethyl) 6-O-methyl 2,7-dimethyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, methyl 3-[(2-ethylthioethyl)oxycarbonyl]-2,7-dimethyl-5-oxo-4-phenyl-1,4,6,7,8 -pentahydroquinoline-6-carboxylate
| Molecular Formula | C24H29NO5S |
|---|---|
| Molecular Weight | 443.18 g/mol |
| LogP | 3.5959 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.17664 |
| Heavy Atoms | 31 |
| Complexity | 921.15717 |
Chemical Identifiers
| CAS Number | 1005087-19-3 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)C(C(C2)C)C(=O)OC)C |
Product Overview
BAS 09589387 (CAS 1005087-19-3), with molecular formula C24H29NO5S and molecular weight 443.18 g/mol. IUPAC: 3-O-(2-ethylsulfanylethyl) 6-O-methyl 2,7-dimethyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of BAS 09589387
Property Insights of BAS 09589387
The XLogP value of 3.5959 indicates that BAS 09589387 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09589387. Following Lipinski's Rule of Five, BAS 09589387 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 09589387?
The CAS number of BAS 09589387 is 1005087-19-3.
What is the molecular formula of BAS 09589387?
The molecular formula of BAS 09589387 is C24H29NO5S.
What is the molecular weight of BAS 09589387?
The molecular weight of BAS 09589387 is 443.18 g/mol.
Where can I buy BAS 09589387?
You can request a quote for BAS 09589387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09589387?
Yes, KEHONG BIO provides custom synthesis services for BAS 09589387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.