3-(Sulfooxy)benzenepropanoic acid
TL;DR: 3-(Sulfooxy)benzenepropanoic acid (CAS 86321-32-6) is a chemical compound with molecular formula C9H10O6S and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-sulfooxyphenyl)propanoic acid
Also Known As: mhppa sulfate, 3-(3-sulfooxyphenyl)propanoic Acid, 3-[3-(sulfooxy)phenyl]propanoic acid, 3-(m-sulfooxyphenyl)propanoic acid, 3-(3-(Sulfooxy)phenyl)propanoic acid
| Molecular Formula | C9H10O6S |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.0198 |
| Heavy Atoms | 16 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 86321-32-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OS(=O)(=O)O)CCC(=O)O |
| InChIKey | IQWLPDPKVFZEOK-UHFFFAOYSA-N |
Product Overview
3-(Sulfooxy)benzenepropanoic acid (CAS 86321-32-6), with molecular formula C9H10O6S and molecular weight 246.02 g/mol. IUPAC: 3-(3-sulfooxyphenyl)propanoic acid.
Chemical Property Profile of 3-(Sulfooxy)benzenepropanoic acid
Property Insights of 3-(Sulfooxy)benzenepropanoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Sulfooxy)benzenepropanoic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Sulfooxy)benzenepropanoic acid. Following Lipinski's Rule of Five, 3-(Sulfooxy)benzenepropanoic acid has 2 hydrogen bond donor(s) and 6 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-(Sulfooxy)benzenepropanoic acid?
The CAS number of 3-(Sulfooxy)benzenepropanoic acid is 86321-32-6.
What is the molecular formula of 3-(Sulfooxy)benzenepropanoic acid?
The molecular formula of 3-(Sulfooxy)benzenepropanoic acid is C9H10O6S.
What is the molecular weight of 3-(Sulfooxy)benzenepropanoic acid?
The molecular weight of 3-(Sulfooxy)benzenepropanoic acid is 246.02 g/mol.
Where can I buy 3-(Sulfooxy)benzenepropanoic acid?
You can request a quote for 3-(Sulfooxy)benzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Sulfooxy)benzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Sulfooxy)benzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.