2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone
TL;DR: 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone (CAS 401819-95-2) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.06 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-hydroxy-2-methylphenyl)ethanone
Also Known As: 2-(1,3-benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone, 2-(Benzo[d]oxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone, 2-benzoxazol-2-ylthio-1-(4-hydroxy-2-methylphenyl)ethan-1-one, 2-benzooxazol-2-ylsulfanyl-1-(4-hydroxy-2-methyl-phenyl)ethanone, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-hydroxy-2-methylphenyl)ethanone
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.81682 |
| Topological Polar Surface Area | 63.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 777.1422 |
Chemical Identifiers
| CAS Number | 401819-95-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)C(=O)CSC2=NC3=CC=CC=C3O2 |
Product Overview
2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone (CAS 401819-95-2), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-hydroxy-2-methylphenyl)ethanone.
Chemical Property Profile of 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone
Property Insights of 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone
The XLogP value of 3.81682 indicates that 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone. Following Lipinski's Rule of Five, 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone has 1 hydrogen bond donor(s) and 5 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-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone?
The CAS number of 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone is 401819-95-2.
What is the molecular formula of 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone?
The molecular formula of 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone is C16H13NO3S.
What is the molecular weight of 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone?
The molecular weight of 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone is 299.06 g/mol.
Where can I buy 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone?
You can request a quote for 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzoxazol-2-ylthio)-1-(4-hydroxy-2-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.