A2563/0109228
TL;DR: A2563/0109228 (CAS 347353-45-1) is a chemical compound with molecular formula C25H25NO3S and molecular weight 419.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: A2563/0109228, benzyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 2-methyl-4-(4-(methylthio)phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, benzyl 2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C25H25NO3S |
|---|---|
| Molecular Weight | 419.16 g/mol |
| LogP | 5.1198 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.15552 |
| Heavy Atoms | 30 |
| Complexity | 1022.1191 |
Chemical Identifiers
| CAS Number | 347353-45-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)SC)C(=O)OCC4=CC=CC=C4 |
Product Overview
A2563/0109228 (CAS 347353-45-1), with molecular formula C25H25NO3S and molecular weight 419.16 g/mol. IUPAC: benzyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of A2563/0109228
Property Insights of A2563/0109228
The XLogP value of 5.1198 indicates that A2563/0109228 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, A2563/0109228 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2563/0109228 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2563/0109228?
The CAS number of A2563/0109228 is 347353-45-1.
What is the molecular formula of A2563/0109228?
The molecular formula of A2563/0109228 is C25H25NO3S.
What is the molecular weight of A2563/0109228?
The molecular weight of A2563/0109228 is 419.16 g/mol.
Where can I buy A2563/0109228?
You can request a quote for A2563/0109228 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2563/0109228?
Yes, KEHONG BIO provides custom synthesis services for A2563/0109228 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.