3-Methylphenyl benzenesulfonate
TL;DR: 3-Methylphenyl benzenesulfonate (CAS 41480-07-3) is a chemical compound with molecular formula C13H12O3S and molecular weight 248.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) benzenesulfonate
Also Known As: m-tolyl benzenesulfonate, m-tolyl benzenesulphonate, 3-Methylphenyl benzenesulfonate, (3-methylphenyl) benzenesulfonate, Benzenesulfonic acid, m-tolyl ester
| Molecular Formula | C13H12O3S |
|---|---|
| Molecular Weight | 248.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.05072 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 41480-07-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | STHKCLFVJLLODK-UHFFFAOYSA-N |
Product Overview
3-Methylphenyl benzenesulfonate (CAS 41480-07-3), with molecular formula C13H12O3S and molecular weight 248.05 g/mol. IUPAC: (3-methylphenyl) benzenesulfonate.
Chemical Property Profile of 3-Methylphenyl benzenesulfonate
Property Insights of 3-Methylphenyl benzenesulfonate
The XLogP value of 3.4 indicates that 3-Methylphenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Methylphenyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylphenyl benzenesulfonate 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-Methylphenyl benzenesulfonate?
The CAS number of 3-Methylphenyl benzenesulfonate is 41480-07-3.
What is the molecular formula of 3-Methylphenyl benzenesulfonate?
The molecular formula of 3-Methylphenyl benzenesulfonate is C13H12O3S.
What is the molecular weight of 3-Methylphenyl benzenesulfonate?
The molecular weight of 3-Methylphenyl benzenesulfonate is 248.05 g/mol.
Where can I buy 3-Methylphenyl benzenesulfonate?
You can request a quote for 3-Methylphenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylphenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylphenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.