A3051/0128840
TL;DR: A3051/0128840 (CAS 433327-74-3) is a chemical compound with molecular formula C28H30FNO4S and molecular weight 495.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(2-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: A3051/0128840, 2-(ethylsulfanyl)ethyl 4-(2-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylthio)ethyl 4-(2-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylsulfanylethyl 4-(2-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C28H30FNO4S |
|---|---|
| Molecular Weight | 495.19 g/mol |
| LogP | 5.4922 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.18796 |
| Heavy Atoms | 35 |
| Complexity | 1188.9847 |
Chemical Identifiers
| CAS Number | 433327-74-3 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3F)C(=O)CC(C2)C4=CC=CC=C4OC)C |
Product Overview
A3051/0128840 (CAS 433327-74-3), with molecular formula C28H30FNO4S and molecular weight 495.19 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(2-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of A3051/0128840
Property Insights of A3051/0128840
The XLogP value of 5.4922 indicates that A3051/0128840 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 A3051/0128840. Following Lipinski's Rule of Five, A3051/0128840 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3051/0128840?
The CAS number of A3051/0128840 is 433327-74-3.
What is the molecular formula of A3051/0128840?
The molecular formula of A3051/0128840 is C28H30FNO4S.
What is the molecular weight of A3051/0128840?
The molecular weight of A3051/0128840 is 495.19 g/mol.
Where can I buy A3051/0128840?
You can request a quote for A3051/0128840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3051/0128840?
Yes, KEHONG BIO provides custom synthesis services for A3051/0128840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.