F2543-0539
TL;DR: F2543-0539 (CAS 896330-87-3) is a chemical compound with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate
Also Known As: F2543-0539, ethyl 2-(2-((8-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)acetamido)benzoate, ethyl 2-[[2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate, ethyl 2-[2-({8-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)acetamido]benzoate
| Molecular Formula | C19H18N4O4S |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 2.30542 |
| Topological Polar Surface Area | 102.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.1049 |
| Heavy Atoms | 28 |
| Complexity | 1096.729 |
Chemical Identifiers
| CAS Number | 896330-87-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)N3C=CC(=CC3=N2)C |
Product Overview
F2543-0539 (CAS 896330-87-3), with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol. IUPAC: ethyl 2-[[2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetyl]amino]benzoate.
Chemical Property Profile of F2543-0539
Property Insights of F2543-0539
The XLogP value of 2.30542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2543-0539. The TPSA of 102.66 Ų falls within the moderate polarity range, balancing permeability and solubility for F2543-0539. Following Lipinski's Rule of Five, F2543-0539 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 F2543-0539?
The CAS number of F2543-0539 is 896330-87-3.
What is the molecular formula of F2543-0539?
The molecular formula of F2543-0539 is C19H18N4O4S.
What is the molecular weight of F2543-0539?
The molecular weight of F2543-0539 is 398.10 g/mol.
Where can I buy F2543-0539?
You can request a quote for F2543-0539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2543-0539?
Yes, KEHONG BIO provides custom synthesis services for F2543-0539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.