A2552/0108682
TL;DR: A2552/0108682 (CAS 347316-46-5) is a chemical compound with molecular formula C24H25NO5S and molecular weight 439.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylethyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: A2552/0108682, 2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-(ethylthio)ethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-ethylthioethyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-1,4,6,7,8-pentahydroquin oline-3-carboxylate, 2-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C24H25NO5S |
|---|---|
| Molecular Weight | 439.15 g/mol |
| LogP | 4.0572 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.14536 |
| Heavy Atoms | 31 |
| Complexity | 1160.014 |
Chemical Identifiers
| CAS Number | 347316-46-5 |
|---|---|
| SMILES | CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CCC2)C |
Product Overview
A2552/0108682 (CAS 347316-46-5), with molecular formula C24H25NO5S and molecular weight 439.15 g/mol. IUPAC: 2-ethylsulfanylethyl 2-methyl-5-oxo-4-(4-oxochromen-3-yl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of A2552/0108682
Property Insights of A2552/0108682
The XLogP value of 4.0572 indicates that A2552/0108682 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for A2552/0108682. Following Lipinski's Rule of Five, A2552/0108682 has 1 hydrogen bond donor(s) and 7 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 A2552/0108682?
The CAS number of A2552/0108682 is 347316-46-5.
What is the molecular formula of A2552/0108682?
The molecular formula of A2552/0108682 is C24H25NO5S.
What is the molecular weight of A2552/0108682?
The molecular weight of A2552/0108682 is 439.15 g/mol.
Where can I buy A2552/0108682?
You can request a quote for A2552/0108682 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2552/0108682?
Yes, KEHONG BIO provides custom synthesis services for A2552/0108682 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.