A2647/0112785
TL;DR: A2647/0112785 (CAS 421586-72-3) is a chemical compound with molecular formula C25H26ClNO3S2 and molecular weight 487.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: A2647/0112785, 2-(ethylsulfanyl)ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylsulfanyl)ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-ethylsulfanylethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, 2-(ethylthio)ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C25H26ClNO3S2 |
|---|---|
| Molecular Weight | 487.10 g/mol |
| LogP | 6.0594 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.10428 |
| Heavy Atoms | 32 |
| Complexity | 1074.616 |
Chemical Identifiers
| CAS Number | 421586-72-3 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Cl)C(=O)CC(C2)C4=CC=CS4)C |
Product Overview
A2647/0112785 (CAS 421586-72-3), with molecular formula C25H26ClNO3S2 and molecular weight 487.10 g/mol. IUPAC: 2-ethylsulfanylethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of A2647/0112785
Property Insights of A2647/0112785
The XLogP value of 6.0594 indicates that A2647/0112785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, A2647/0112785 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2647/0112785 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 A2647/0112785?
The CAS number of A2647/0112785 is 421586-72-3.
What is the molecular formula of A2647/0112785?
The molecular formula of A2647/0112785 is C25H26ClNO3S2.
What is the molecular weight of A2647/0112785?
The molecular weight of A2647/0112785 is 487.10 g/mol.
Where can I buy A2647/0112785?
You can request a quote for A2647/0112785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2647/0112785?
Yes, KEHONG BIO provides custom synthesis services for A2647/0112785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.