3,5-Dimethylphenyl ethenesulfonate
TL;DR: 3,5-Dimethylphenyl ethenesulfonate (CAS 91061-61-9) is a chemical compound with molecular formula C10H12O3S and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) ethenesulfonate
Also Known As: 3,5-dimethylphenyl ethenesulfonate, (3,5-dimethylphenyl) ethenesulfonate, 3,5-dimethylphenyl ethene-1-sulfonate, F0239-0726
| Molecular Formula | C10H12O3S |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 2.15554 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.05072 |
| Heavy Atoms | 14 |
| Complexity | 426.18497 |
Chemical Identifiers
| CAS Number | 91061-61-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OS(=O)(=O)C=C)C |
Product Overview
3,5-Dimethylphenyl ethenesulfonate (CAS 91061-61-9), with molecular formula C10H12O3S and molecular weight 212.05 g/mol. IUPAC: (3,5-dimethylphenyl) ethenesulfonate.
Chemical Property Profile of 3,5-Dimethylphenyl ethenesulfonate
Property Insights of 3,5-Dimethylphenyl ethenesulfonate
The XLogP value of 2.15554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylphenyl ethenesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, 3,5-Dimethylphenyl ethenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylphenyl ethenesulfonate has 0 hydrogen bond donor(s) and 3 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 3,5-Dimethylphenyl ethenesulfonate?
The CAS number of 3,5-Dimethylphenyl ethenesulfonate is 91061-61-9.
What is the molecular formula of 3,5-Dimethylphenyl ethenesulfonate?
The molecular formula of 3,5-Dimethylphenyl ethenesulfonate is C10H12O3S.
What is the molecular weight of 3,5-Dimethylphenyl ethenesulfonate?
The molecular weight of 3,5-Dimethylphenyl ethenesulfonate is 212.05 g/mol.
Where can I buy 3,5-Dimethylphenyl ethenesulfonate?
You can request a quote for 3,5-Dimethylphenyl ethenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylphenyl ethenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylphenyl ethenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.