BAS 04378817
TL;DR: BAS 04378817 (CAS 420818-98-0) is a chemical compound with molecular formula C23H27NO3S and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 04378817, cyclopentyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, cyclopentyl 2-methyl-4-(4-(methylthio)phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, cyclopentyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, cyclopentyl 2-methyl-4-(4-methylthiophenyl)-5-oxo-1,4,6,7,8-pentahydroquinolin e-3-carboxylate
| Molecular Formula | C23H27NO3S |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 4.8622 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.17117 |
| Heavy Atoms | 28 |
| Complexity | 847.10333 |
Chemical Identifiers
| CAS Number | 420818-98-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)SC)C(=O)OC4CCCC4 |
Product Overview
BAS 04378817 (CAS 420818-98-0), with molecular formula C23H27NO3S and molecular weight 397.17 g/mol. IUPAC: cyclopentyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 04378817
Property Insights of BAS 04378817
The XLogP value of 4.8622 indicates that BAS 04378817 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 04378817 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04378817 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 04378817?
The CAS number of BAS 04378817 is 420818-98-0.
What is the molecular formula of BAS 04378817?
The molecular formula of BAS 04378817 is C23H27NO3S.
What is the molecular weight of BAS 04378817?
The molecular weight of BAS 04378817 is 397.17 g/mol.
Where can I buy BAS 04378817?
You can request a quote for BAS 04378817 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04378817?
Yes, KEHONG BIO provides custom synthesis services for BAS 04378817 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.