F2568-0035
TL;DR: F2568-0035 (CAS 896311-89-0) is a chemical compound with molecular formula C18H17N3O4S and molecular weight 371.09 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] 3,5-dimethylbenzoate
Also Known As: F2568-0035, 6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 3,5-dimethylbenzoate, [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3,5-dimethylbenzoate, 6-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 3,5-dimethylbenzoate
| Molecular Formula | C18H17N3O4S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 2.89664 |
| Topological Polar Surface Area | 87.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.09396 |
| Heavy Atoms | 26 |
| Complexity | 989.41595 |
Chemical Identifiers
| CAS Number | 896311-89-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=CN3C)C |
Product Overview
F2568-0035 (CAS 896311-89-0), with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol. IUPAC: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 3,5-dimethylbenzoate.
Chemical Property Profile of F2568-0035
Property Insights of F2568-0035
The XLogP value of 2.89664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2568-0035. The TPSA of 87.22 Ų falls within the moderate polarity range, balancing permeability and solubility for F2568-0035. Following Lipinski's Rule of Five, F2568-0035 has 0 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 F2568-0035?
The CAS number of F2568-0035 is 896311-89-0.
What is the molecular formula of F2568-0035?
The molecular formula of F2568-0035 is C18H17N3O4S.
What is the molecular weight of F2568-0035?
The molecular weight of F2568-0035 is 371.09 g/mol.
Where can I buy F2568-0035?
You can request a quote for F2568-0035 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2568-0035?
Yes, KEHONG BIO provides custom synthesis services for F2568-0035 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.