4-Methoxybenzenesulfonate
TL;DR: 4-Methoxybenzenesulfonate (CAS 55735-62-1) is a chemical compound with molecular formula C7H7O4S- and molecular weight 187.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxybenzenesulfonate
Also Known As: 4-methoxybenzenesulfonate, AE-641/01120055
| Molecular Formula | C7H7O4S- |
|---|---|
| Molecular Weight | 187.01 g/mol |
| LogP | 0.5993 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.0065 |
| Heavy Atoms | 12 |
| Complexity | 351.49768 |
Chemical Identifiers
| CAS Number | 55735-62-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
4-Methoxybenzenesulfonate (CAS 55735-62-1), with molecular formula C7H7O4S- and molecular weight 187.01 g/mol. IUPAC: 4-methoxybenzenesulfonate.
Chemical Property Profile of 4-Methoxybenzenesulfonate
Property Insights of 4-Methoxybenzenesulfonate
The XLogP value of 0.5993 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxybenzenesulfonate. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxybenzenesulfonate. Following Lipinski's Rule of Five, 4-Methoxybenzenesulfonate 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-Methoxybenzenesulfonate?
The CAS number of 4-Methoxybenzenesulfonate is 55735-62-1.
What is the molecular formula of 4-Methoxybenzenesulfonate?
The molecular formula of 4-Methoxybenzenesulfonate is C7H7O4S-.
What is the molecular weight of 4-Methoxybenzenesulfonate?
The molecular weight of 4-Methoxybenzenesulfonate is 187.01 g/mol.
Where can I buy 4-Methoxybenzenesulfonate?
You can request a quote for 4-Methoxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.