F2568-0049
TL;DR: F2568-0049 (CAS 896312-48-4) is a chemical compound with molecular formula C17H13N3O6S and molecular weight 387.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate
Also Known As: F2568-0049, 6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 2H-1,3-benzodioxole-5-carboxylate, [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate, 6-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-4-oxo-4H-pyran-3-yl benzo[d][1,3]dioxole-5-carboxylate
| Molecular Formula | C17H13N3O6S |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 2.0085 |
| Topological Polar Surface Area | 105.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.05252 |
| Heavy Atoms | 27 |
| Complexity | 1060.8175 |
Chemical Identifiers
| CAS Number | 896312-48-4 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
F2568-0049 (CAS 896312-48-4), with molecular formula C17H13N3O6S and molecular weight 387.05 g/mol. IUPAC: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of F2568-0049
Property Insights of F2568-0049
The XLogP value of 2.0085 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2568-0049. The TPSA of 105.68 Ų falls within the moderate polarity range, balancing permeability and solubility for F2568-0049. Following Lipinski's Rule of Five, F2568-0049 has 0 hydrogen bond donor(s) and 9 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 F2568-0049?
The CAS number of F2568-0049 is 896312-48-4.
What is the molecular formula of F2568-0049?
The molecular formula of F2568-0049 is C17H13N3O6S.
What is the molecular weight of F2568-0049?
The molecular weight of F2568-0049 is 387.05 g/mol.
Where can I buy F2568-0049?
You can request a quote for F2568-0049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2568-0049?
Yes, KEHONG BIO provides custom synthesis services for F2568-0049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.