3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid
TL;DR: 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid (CAS 65373-85-5) is a chemical compound with molecular formula C10H12O4S and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-3-oxopropane-1-sulfinic acid
Also Known As: 3-(4-methoxyphenyl)-3-oxopropane-1-sulfinic acid, 3-(4-Methoxyphenyl)-3-oxo-propane-1-sulfinic acid
| Molecular Formula | C10H12O4S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.04562 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 65373-85-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CCS(=O)O |
| InChIKey | XFGSFQUTPPESRG-UHFFFAOYSA-N |
Product Overview
3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid (CAS 65373-85-5), with molecular formula C10H12O4S and molecular weight 228.05 g/mol. IUPAC: 3-(4-methoxyphenyl)-3-oxopropane-1-sulfinic acid.
Chemical Property Profile of 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid
Property Insights of 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid has 1 hydrogen bond donor(s) and 5 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-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid?
The CAS number of 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid is 65373-85-5.
What is the molecular formula of 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid?
The molecular formula of 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid is C10H12O4S.
What is the molecular weight of 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid?
The molecular weight of 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid is 228.05 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid?
You can request a quote for 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)-3-oxopropane-1-sulfinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.