2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate
TL;DR: 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate (CAS 326007-68-5) is a chemical compound with molecular formula C17H12FNO4S and molecular weight 345.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
Also Known As: BIM-0002599.P001, 2-(4-fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate, AB00685254-01, AB00685254-02, 2-(4-fluorophenyl)-2-oxoethyl 2-(benzo[d]oxazol-2-ylthio)acetate
| Molecular Formula | C17H12FNO4S |
|---|---|
| Molecular Weight | 345.05 g/mol |
| LogP | 3.4851 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.04712 |
| Heavy Atoms | 24 |
| Complexity | 842.68774 |
Chemical Identifiers
| CAS Number | 326007-68-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC(=O)C3=CC=C(C=C3)F |
Product Overview
2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate (CAS 326007-68-5), with molecular formula C17H12FNO4S and molecular weight 345.05 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate.
Chemical Property Profile of 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate
Property Insights of 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate
The XLogP value of 3.4851 indicates that 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate 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 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate?
The CAS number of 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate is 326007-68-5.
What is the molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate?
The molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate is C17H12FNO4S.
What is the molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate?
The molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate is 345.05 g/mol.
Where can I buy 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate?
You can request a quote for 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-2-oxoethyl (1,3-benzoxazol-2-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.