7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one
TL;DR: 7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one (CAS 627889-77-4) is a chemical compound with molecular formula C15H12O3S and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3,4-dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one
Also Known As: IFLab1_006284, IFLab2_000290, 7-(3,4-dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one, IDI1_019316, AS-871/42031889
| Molecular Formula | C15H12O3S |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 3.84394 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.05072 |
| Heavy Atoms | 19 |
| Complexity | 827.01324 |
Chemical Identifiers
| CAS Number | 627889-77-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=C3C(=CC(=C2)O)SC(=O)O3)C |
Product Overview
7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one (CAS 627889-77-4), with molecular formula C15H12O3S and molecular weight 272.05 g/mol. IUPAC: 7-(3,4-dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one.
Chemical Property Profile of 7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one
Property Insights of 7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one
The XLogP value of 3.84394 indicates that 7-(3,4-Dimethylphenyl)-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-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(3,4-Dimethylphenyl)-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-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one?
The CAS number of 7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one is 627889-77-4.
What is the molecular formula of 7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one?
The molecular formula of 7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one is C15H12O3S.
What is the molecular weight of 7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one?
The molecular weight of 7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one is 272.05 g/mol.
Where can I buy 7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one?
You can request a quote for 7-(3,4-Dimethylphenyl)-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-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(3,4-Dimethylphenyl)-5-hydroxy-1,3-benzoxathiol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.