4-Methoxyphenyl benzenesulfonate
TL;DR: 4-Methoxyphenyl benzenesulfonate (CAS 3753-58-0) is a chemical compound with molecular formula C13H12O4S and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) benzenesulfonate
Also Known As: 4-methoxyphenyl benzenesulfonate, (4-methoxyphenyl) benzenesulfonate, 4-((4-Methoxyphenyl)sulfonyl)phenol, Benzenesulfonic acid 4-methoxyphenyl ester, 4-METHOXYPHENYL-4'-HYDROXYPHENYL SULFONE
| Molecular Formula | C13H12O4S |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 2.4629 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.04562 |
| Heavy Atoms | 18 |
| Complexity | 603.19934 |
Chemical Identifiers
| CAS Number | 3753-58-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2 |
Product Overview
4-Methoxyphenyl benzenesulfonate (CAS 3753-58-0), with molecular formula C13H12O4S and molecular weight 264.05 g/mol. IUPAC: (4-methoxyphenyl) benzenesulfonate.
Chemical Property Profile of 4-Methoxyphenyl benzenesulfonate
Property Insights of 4-Methoxyphenyl benzenesulfonate
The XLogP value of 2.4629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxyphenyl benzenesulfonate. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Methoxyphenyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxyphenyl benzenesulfonate has 0 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 4-Methoxyphenyl benzenesulfonate?
The CAS number of 4-Methoxyphenyl benzenesulfonate is 3753-58-0.
What is the molecular formula of 4-Methoxyphenyl benzenesulfonate?
The molecular formula of 4-Methoxyphenyl benzenesulfonate is C13H12O4S.
What is the molecular weight of 4-Methoxyphenyl benzenesulfonate?
The molecular weight of 4-Methoxyphenyl benzenesulfonate is 264.05 g/mol.
Where can I buy 4-Methoxyphenyl benzenesulfonate?
You can request a quote for 4-Methoxyphenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxyphenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyphenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.