4-Methoxybenzenesulfinate
TL;DR: 4-Methoxybenzenesulfinate (CAS 63226-46-0) is a chemical compound with molecular formula C7H7O3S- and molecular weight 171.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxybenzenesulfinate
Also Known As: 4-methoxybenzenesulfinate, 1-METHYLOXY-4-SULFONE-BENZENE, 4-methoxybenzene-1-sulfinate, 1-(dioxidosulfanyl)-4-methoxybenzene, MSB
| Molecular Formula | C7H7O3S- |
|---|---|
| Molecular Weight | 171.01 g/mol |
| LogP | 0.9332 |
| Topological Polar Surface Area | 49.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.0116 |
| Heavy Atoms | 11 |
| Complexity | 254.89313 |
Chemical Identifiers
| CAS Number | 63226-46-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)[O-] |
Product Overview
4-Methoxybenzenesulfinate (CAS 63226-46-0), with molecular formula C7H7O3S- and molecular weight 171.01 g/mol. IUPAC: 4-methoxybenzenesulfinate.
Chemical Property Profile of 4-Methoxybenzenesulfinate
Property Insights of 4-Methoxybenzenesulfinate
The XLogP value of 0.9332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxybenzenesulfinate. With a topological polar surface area (TPSA) of 49.36 Ų, 4-Methoxybenzenesulfinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxybenzenesulfinate 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 4-Methoxybenzenesulfinate?
The CAS number of 4-Methoxybenzenesulfinate is 63226-46-0.
What is the molecular formula of 4-Methoxybenzenesulfinate?
The molecular formula of 4-Methoxybenzenesulfinate is C7H7O3S-.
What is the molecular weight of 4-Methoxybenzenesulfinate?
The molecular weight of 4-Methoxybenzenesulfinate is 171.01 g/mol.
Where can I buy 4-Methoxybenzenesulfinate?
You can request a quote for 4-Methoxybenzenesulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxybenzenesulfinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzenesulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.