BAS 04378472
TL;DR: BAS 04378472 (CAS 347329-22-0) is a chemical compound with molecular formula C24H31NO3S and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 04378472, A2558/0108952, 2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, 2-(ethylsulfanyl)ethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C24H31NO3S |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 4.89532 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.20245 |
| Heavy Atoms | 29 |
| Complexity | 881.8669 |
Chemical Identifiers
| CAS Number | 347329-22-0 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC(=C3)C)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 04378472 (CAS 347329-22-0), with molecular formula C24H31NO3S and molecular weight 413.20 g/mol. IUPAC: 2-ethylsulfanylethyl 2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 04378472
Property Insights of BAS 04378472
The XLogP value of 4.89532 indicates that BAS 04378472 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 04378472 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04378472 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 04378472?
The CAS number of BAS 04378472 is 347329-22-0.
What is the molecular formula of BAS 04378472?
The molecular formula of BAS 04378472 is C24H31NO3S.
What is the molecular weight of BAS 04378472?
The molecular weight of BAS 04378472 is 413.20 g/mol.
Where can I buy BAS 04378472?
You can request a quote for BAS 04378472 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04378472?
Yes, KEHONG BIO provides custom synthesis services for BAS 04378472 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.