2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone
TL;DR: 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone (CAS 219917-39-2) is a chemical compound with molecular formula C15H11NO4S and molecular weight 301.04 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-(3,4-dihydroxyphenyl)ethanone
Also Known As: UPCMLD0ENAT5731231:001, J1.051.705B, 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone, AI-204/31685046, 1-(3,4-Dihydroxyphenyl)-2-(benzoxazole-2-ylthio)ethanone
| Molecular Formula | C15H11NO4S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 3.214 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0409 |
| Heavy Atoms | 21 |
| Complexity | 779.29376 |
Chemical Identifiers
| CAS Number | 219917-39-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC(=O)C3=CC(=C(C=C3)O)O |
Product Overview
2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone (CAS 219917-39-2), with molecular formula C15H11NO4S and molecular weight 301.04 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone
Property Insights of 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone
The XLogP value of 3.214 indicates that 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone has 2 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-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone?
The CAS number of 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone is 219917-39-2.
What is the molecular formula of 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone?
The molecular formula of 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone is C15H11NO4S.
What is the molecular weight of 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone?
The molecular weight of 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone is 301.04 g/mol.
Where can I buy 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone?
You can request a quote for 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)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-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzoxazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.