6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one
TL;DR: 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one (CAS 17631-05-9) is a chemical compound with molecular formula C7H3ClO3S and molecular weight 201.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-5-hydroxy-1,3-benzoxathiol-2-one
Also Known As: 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one, 6-chloro-5-hydroxy-1,3-benzoxathiol-2-one, 6-chloro-5-hydroxybenzo[d][1,3]oxathiol-2-one, 996-014-8, RefChem:541777
| Molecular Formula | C7H3ClO3S |
|---|---|
| Molecular Weight | 201.95 g/mol |
| LogP | 2.2135 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.94914 |
| Heavy Atoms | 12 |
| Complexity | 442.8474 |
Chemical Identifiers
| CAS Number | 17631-05-9 |
|---|---|
| SMILES | C1=C(C(=CC2=C1SC(=O)O2)Cl)O |
Product Overview
6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one (CAS 17631-05-9), with molecular formula C7H3ClO3S and molecular weight 201.95 g/mol. IUPAC: 6-chloro-5-hydroxy-1,3-benzoxathiol-2-one.
Chemical Property Profile of 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one
Property Insights of 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one
The XLogP value of 2.2135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one. With a topological polar surface area (TPSA) of 50.44 Ų, 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-5-hydroxy-2H-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 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one?
The CAS number of 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one is 17631-05-9.
What is the molecular formula of 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one?
The molecular formula of 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one is C7H3ClO3S.
What is the molecular weight of 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one?
The molecular weight of 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one is 201.95 g/mol.
Where can I buy 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one?
You can request a quote for 6-chloro-5-hydroxy-2H-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 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-5-hydroxy-2H-1,3-benzoxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.