7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one
TL;DR: 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one (CAS 853753-86-3) is a chemical compound with molecular formula C13H6Cl2O3S and molecular weight 311.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,3-dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one
Also Known As: 7-(2,3-dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one, 7-(2,3-Dichloro-phenyl)-5-hydroxy-benzo[1,3]oxathiol-2-one, 7-(2,3-dichlorophenyl)-5-hydroxybenzo[d]1,3-oxathiolen-2-one
| Molecular Formula | C13H6Cl2O3S |
|---|---|
| Molecular Weight | 311.94 g/mol |
| LogP | 4.5339 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.94147 |
| Heavy Atoms | 19 |
| Complexity | 835.51086 |
Chemical Identifiers
| CAS Number | 853753-86-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)C2=C3C(=CC(=C2)O)SC(=O)O3 |
Product Overview
7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one (CAS 853753-86-3), with molecular formula C13H6Cl2O3S and molecular weight 311.94 g/mol. IUPAC: 7-(2,3-dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one.
Chemical Property Profile of 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one
Property Insights of 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one
The XLogP value of 4.5339 indicates that 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-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 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one?
The CAS number of 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one is 853753-86-3.
What is the molecular formula of 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one?
The molecular formula of 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one is C13H6Cl2O3S.
What is the molecular weight of 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one?
The molecular weight of 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one is 311.94 g/mol.
Where can I buy 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one?
You can request a quote for 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(2,3-Dichlorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.