F2568-0039
TL;DR: F2568-0039 (CAS 896312-01-9) is a chemical compound with molecular formula C17H15N3O5S and molecular weight 373.07 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] 3-methoxybenzoate
Also Known As: F2568-0039, [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3-methoxybenzoate, 6-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3-methoxybenzoate, 6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 3-methoxybenzoate, 6-[(4-methyl-4H-1,2,4-triazol-3-ylthio)methyl]-4-oxo-4H-pyran-3-yl m-anisate
| Molecular Formula | C17H15N3O5S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 2.2884 |
| Topological Polar Surface Area | 96.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.07324 |
| Heavy Atoms | 26 |
| Complexity | 982.2797 |
Chemical Identifiers
| CAS Number | 896312-01-9 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=CC(=O)C(=CO2)OC(=O)C3=CC(=CC=C3)OC |
Product Overview
F2568-0039 (CAS 896312-01-9), with molecular formula C17H15N3O5S and molecular weight 373.07 g/mol. IUPAC: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3-methoxybenzoate.
Chemical Property Profile of F2568-0039
Property Insights of F2568-0039
The XLogP value of 2.2884 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2568-0039. The TPSA of 96.45 Ų falls within the moderate polarity range, balancing permeability and solubility for F2568-0039. Following Lipinski's Rule of Five, F2568-0039 has 0 hydrogen bond donor(s) and 8 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 F2568-0039?
The CAS number of F2568-0039 is 896312-01-9.
What is the molecular formula of F2568-0039?
The molecular formula of F2568-0039 is C17H15N3O5S.
What is the molecular weight of F2568-0039?
The molecular weight of F2568-0039 is 373.07 g/mol.
Where can I buy F2568-0039?
You can request a quote for F2568-0039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2568-0039?
Yes, KEHONG BIO provides custom synthesis services for F2568-0039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.