2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone
TL;DR: 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone (CAS 13944-97-3) is a chemical compound with molecular formula C15H10BrNO2S and molecular weight 346.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone
Also Known As: 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone, 2-(benzo[d]oxazol-2-ylthio)-1-(4-bromophenyl)ethanone, 2-(BENZOXAZOL-2-YLTHIO)-4'-BROMOACETOPHENONE, 2-benzoxazol-2-ylthio-1-(4-bromophenyl)ethan-1-one
| Molecular Formula | C15H10BrNO2S |
|---|---|
| Molecular Weight | 346.96 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.96155 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 13944-97-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC(=O)C3=CC=C(C=C3)Br |
| InChIKey | MRDNHYLTHWKOEU-UHFFFAOYSA-N |
Product Overview
2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone (CAS 13944-97-3), with molecular formula C15H10BrNO2S and molecular weight 346.96 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone.
Chemical Property Profile of 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone
Property Insights of 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone
The XLogP value of 4.7 indicates that 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone. Following Lipinski's Rule of Five, 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone has 0 hydrogen bond donor(s) and 4 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-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone?
The CAS number of 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone is 13944-97-3.
What is the molecular formula of 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone?
The molecular formula of 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone is C15H10BrNO2S.
What is the molecular weight of 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone?
The molecular weight of 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone is 346.96 g/mol.
Where can I buy 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone?
You can request a quote for 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Benzoxazolylthio)-1-(4-bromophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.