6-hydroxy-1,4-benzoxathiin-2(3H)-one
TL;DR: 6-hydroxy-1,4-benzoxathiin-2(3H)-one (CAS 29001-22-7) is a chemical compound with molecular formula C8H6O3S and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-1,4-benzoxathiin-2-one
Also Known As: 6-hydroxy-1,4-benzoxathiin-2(3H)-one, 6-hydroxy-1,4-benzoxathiin-2-one, AN-967/15488334
| Molecular Formula | C8H6O3S |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 1.4033 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.00377 |
| Heavy Atoms | 12 |
| Complexity | 335.0749 |
Chemical Identifiers
| CAS Number | 29001-22-7 |
|---|---|
| SMILES | C1C(=O)OC2=C(S1)C=C(C=C2)O |
Product Overview
6-hydroxy-1,4-benzoxathiin-2(3H)-one (CAS 29001-22-7), with molecular formula C8H6O3S and molecular weight 182.00 g/mol. IUPAC: 6-hydroxy-1,4-benzoxathiin-2-one.
Chemical Property Profile of 6-hydroxy-1,4-benzoxathiin-2(3H)-one
Property Insights of 6-hydroxy-1,4-benzoxathiin-2(3H)-one
The XLogP value of 1.4033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-1,4-benzoxathiin-2(3H)-one. With a topological polar surface area (TPSA) of 46.53 Ų, 6-hydroxy-1,4-benzoxathiin-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-hydroxy-1,4-benzoxathiin-2(3H)-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-hydroxy-1,4-benzoxathiin-2(3H)-one?
The CAS number of 6-hydroxy-1,4-benzoxathiin-2(3H)-one is 29001-22-7.
What is the molecular formula of 6-hydroxy-1,4-benzoxathiin-2(3H)-one?
The molecular formula of 6-hydroxy-1,4-benzoxathiin-2(3H)-one is C8H6O3S.
What is the molecular weight of 6-hydroxy-1,4-benzoxathiin-2(3H)-one?
The molecular weight of 6-hydroxy-1,4-benzoxathiin-2(3H)-one is 182.00 g/mol.
Where can I buy 6-hydroxy-1,4-benzoxathiin-2(3H)-one?
You can request a quote for 6-hydroxy-1,4-benzoxathiin-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-hydroxy-1,4-benzoxathiin-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-1,4-benzoxathiin-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.