BAS 04378847
TL;DR: BAS 04378847 (CAS 420096-28-2) is a chemical compound with molecular formula C23H29NO4S and molecular weight 415.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 04378847, 2-(ethylsulfanyl)ethyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 4-(2-Ethoxy-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic, 2-(ETHYLSULFANYL)ETHYL 4-(2-ETHOXYPHENYL)-2-METHYL-5-OXO-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CARBOXYLATE, 2-(ethylthio)ethyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C23H29NO4S |
|---|---|
| Molecular Weight | 415.18 g/mol |
| LogP | 4.3495 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.18173 |
| Heavy Atoms | 29 |
| Complexity | 843.03455 |
Chemical Identifiers
| CAS Number | 420096-28-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCCSCC)C |
Product Overview
BAS 04378847 (CAS 420096-28-2), with molecular formula C23H29NO4S and molecular weight 415.18 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 04378847
Property Insights of BAS 04378847
The XLogP value of 4.3495 indicates that BAS 04378847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04378847. Following Lipinski's Rule of Five, BAS 04378847 has 1 hydrogen bond donor(s) and 6 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 04378847?
The CAS number of BAS 04378847 is 420096-28-2.
What is the molecular formula of BAS 04378847?
The molecular formula of BAS 04378847 is C23H29NO4S.
What is the molecular weight of BAS 04378847?
The molecular weight of BAS 04378847 is 415.18 g/mol.
Where can I buy BAS 04378847?
You can request a quote for BAS 04378847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04378847?
Yes, KEHONG BIO provides custom synthesis services for BAS 04378847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.