2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one
TL;DR: 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one (CAS 7235-47-4) is a chemical compound with molecular formula C14H10O3S and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyphenyl)-3,1-benzoxathiin-4-one
Also Known As: N-17-Cbz-3-hydroxymorphinan, 2-(2-hydroxyphenyl)-3,1-benzoxathiin-4-one, 2-(2-hydroxyphenyl)-4h-3,1-benzoxathiin-4-one, 2-(2-Hydroxyphenyl)-2H,4H-3,1-benzoxathiin-4-one
| Molecular Formula | C14H10O3S |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.03506 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 7235-47-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2OC(=O)C3=CC=CC=C3S2)O |
| InChIKey | NPXMATRQKFMYFV-UHFFFAOYSA-N |
Product Overview
2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one (CAS 7235-47-4), with molecular formula C14H10O3S and molecular weight 258.04 g/mol. IUPAC: 2-(2-hydroxyphenyl)-3,1-benzoxathiin-4-one.
Chemical Property Profile of 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one
Property Insights of 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one
The XLogP value of 3.3 indicates that 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one. Following Lipinski's Rule of Five, 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one has 1 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-Hydroxyphenyl)-3,1-benzoxathiin-4-one?
The CAS number of 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one is 7235-47-4.
What is the molecular formula of 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one?
The molecular formula of 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one is C14H10O3S.
What is the molecular weight of 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one?
The molecular weight of 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one is 258.04 g/mol.
Where can I buy 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one?
You can request a quote for 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Hydroxyphenyl)-3,1-benzoxathiin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.