F2568-0037
TL;DR: F2568-0037 (CAS 877815-97-9) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 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] 4-tert-butylbenzoate
Also Known As: F2568-0037, 6-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl 4-tert-butylbenzoate, [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-tert-butylbenzoate, 6-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-4-oxo-4H-pyran-3-yl 4-(tert-butyl)benzoate
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.5773 |
| Topological Polar Surface Area | 87.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 1032.5946 |
Chemical Identifiers
| CAS Number | 877815-97-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NN=CN3C |
Product Overview
F2568-0037 (CAS 877815-97-9), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: [6-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-tert-butylbenzoate.
Chemical Property Profile of F2568-0037
Property Insights of F2568-0037
The XLogP value of 3.5773 indicates that F2568-0037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.22 Ų falls within the moderate polarity range, balancing permeability and solubility for F2568-0037. Following Lipinski's Rule of Five, F2568-0037 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 F2568-0037?
The CAS number of F2568-0037 is 877815-97-9.
What is the molecular formula of F2568-0037?
The molecular formula of F2568-0037 is C20H21N3O4S.
What is the molecular weight of F2568-0037?
The molecular weight of F2568-0037 is 399.13 g/mol.
Where can I buy F2568-0037?
You can request a quote for F2568-0037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2568-0037?
Yes, KEHONG BIO provides custom synthesis services for F2568-0037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.