4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one
TL;DR: 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one (CAS 7735-58-2) is a chemical compound with molecular formula C7H2Cl2O3S and molecular weight 235.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dichloro-5-hydroxy-1,3-benzoxathiol-2-one
Also Known As: 4,6-dichloro-5-hydroxy-1,3-benzoxathiol-2-one, 4,6-dichloro-5-hydroxy-benzo[1,3]oxathiol-2-one
| Molecular Formula | C7H2Cl2O3S |
|---|---|
| Molecular Weight | 235.91 g/mol |
| LogP | 2.8669 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.91017 |
| Heavy Atoms | 13 |
| Complexity | 528.25256 |
Chemical Identifiers
| CAS Number | 7735-58-2 |
|---|---|
| SMILES | C1=C2C(=C(C(=C1Cl)O)Cl)SC(=O)O2 |
Product Overview
4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one (CAS 7735-58-2), with molecular formula C7H2Cl2O3S and molecular weight 235.91 g/mol. IUPAC: 4,6-dichloro-5-hydroxy-1,3-benzoxathiol-2-one.
Chemical Property Profile of 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one
Property Insights of 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one
The XLogP value of 2.8669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one. With a topological polar surface area (TPSA) of 50.44 Ų, 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dichloro-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 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one?
The CAS number of 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one is 7735-58-2.
What is the molecular formula of 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one?
The molecular formula of 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one is C7H2Cl2O3S.
What is the molecular weight of 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one?
The molecular weight of 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one is 235.91 g/mol.
Where can I buy 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one?
You can request a quote for 4,6-Dichloro-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 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dichloro-5-hydroxy-1,3-benzoxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.