4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid
TL;DR: 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid (CAS 327183-98-2) is a chemical compound with molecular formula C16H16O5S and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-3-oxo-1-phenylpropane-1-sulfonic acid
Also Known As: 3-(4-methoxyphenyl)-3-oxo-1-phenylpropane-1-sulfonic acid, 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid, 3-(4-methoxyphenyl)-3-oxo-1-phenyl-propane-1-sulfonic Acid
| Molecular Formula | C16H16O5S |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 2.8971 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 320.07184 |
| Heavy Atoms | 22 |
| Complexity | 735.8655 |
Chemical Identifiers
| CAS Number | 327183-98-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)S(=O)(=O)O |
Product Overview
4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid (CAS 327183-98-2), with molecular formula C16H16O5S and molecular weight 320.07 g/mol. IUPAC: 3-(4-methoxyphenyl)-3-oxo-1-phenylpropane-1-sulfonic acid.
Chemical Property Profile of 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid
Property Insights of 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid
The XLogP value of 2.8971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid. Following Lipinski's Rule of Five, 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid has 1 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-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid?
The CAS number of 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid is 327183-98-2.
What is the molecular formula of 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid?
The molecular formula of 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid is C16H16O5S.
What is the molecular weight of 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid?
The molecular weight of 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid is 320.07 g/mol.
Where can I buy 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid?
You can request a quote for 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-I(3)-oxo-I+/--phenylbenzenepropanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.