2-Methoxyphenyl benzenesulfonate
TL;DR: 2-Methoxyphenyl benzenesulfonate (CAS 3900-91-2) 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.
(2-methoxyphenyl) benzenesulfonate
Also Known As: 2-methoxyphenyl benzenesulfonate, (2-methoxyphenyl) benzenesulfonate, Phenol, 2-methoxy-, 1-benzenesulfonate, AN-652/41145148
| 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 | 620.44934 |
Chemical Identifiers
| CAS Number | 3900-91-2 |
|---|---|
| SMILES | COC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2 |
Product Overview
2-Methoxyphenyl benzenesulfonate (CAS 3900-91-2), with molecular formula C13H12O4S and molecular weight 264.05 g/mol. IUPAC: (2-methoxyphenyl) benzenesulfonate.
Chemical Property Profile of 2-Methoxyphenyl benzenesulfonate
Property Insights of 2-Methoxyphenyl benzenesulfonate
The XLogP value of 2.4629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyphenyl benzenesulfonate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methoxyphenyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Methoxyphenyl benzenesulfonate?
The CAS number of 2-Methoxyphenyl benzenesulfonate is 3900-91-2.
What is the molecular formula of 2-Methoxyphenyl benzenesulfonate?
The molecular formula of 2-Methoxyphenyl benzenesulfonate is C13H12O4S.
What is the molecular weight of 2-Methoxyphenyl benzenesulfonate?
The molecular weight of 2-Methoxyphenyl benzenesulfonate is 264.05 g/mol.
Where can I buy 2-Methoxyphenyl benzenesulfonate?
You can request a quote for 2-Methoxyphenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyphenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyphenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.