F2543-0458
TL;DR: F2543-0458 (CAS 896325-71-6) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylmethyl]benzoate
Also Known As: F2543-0458, methyl 4-[({7-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl}sulfanyl)methyl]benzoate, methyl 4-(((7-methyl-4-oxo-4H-pyrido[1,2-a][1,3,5]triazin-2-yl)thio)methyl)benzoate, methyl 4-[(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylmethyl]benzoate
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 2.47682 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 951.44714 |
Chemical Identifiers
| CAS Number | 896325-71-6 |
|---|---|
| SMILES | CC1=CN2C(=NC(=NC2=O)SCC3=CC=C(C=C3)C(=O)OC)C=C1 |
Product Overview
F2543-0458 (CAS 896325-71-6), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: methyl 4-[(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylmethyl]benzoate.
Chemical Property Profile of F2543-0458
Property Insights of F2543-0458
The XLogP value of 2.47682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2543-0458. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for F2543-0458. Following Lipinski's Rule of Five, F2543-0458 has 0 hydrogen bond donor(s) and 6 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 F2543-0458?
The CAS number of F2543-0458 is 896325-71-6.
What is the molecular formula of F2543-0458?
The molecular formula of F2543-0458 is C17H15N3O3S.
What is the molecular weight of F2543-0458?
The molecular weight of F2543-0458 is 341.08 g/mol.
Where can I buy F2543-0458?
You can request a quote for F2543-0458 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2543-0458?
Yes, KEHONG BIO provides custom synthesis services for F2543-0458 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.