(E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid
TL;DR: (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid (CAS 86321-30-4) is a chemical compound with molecular formula C9H8O6S and molecular weight 244.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-sulfooxyphenyl)prop-2-enoic acid
Also Known As: 3-hydroxycinnamate sulfate, (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid, 3-(Sulfooxy)-trans-cinnamic acid, 3-(2-Carboxyvinyl)phenylsulfate, 3-[3-(sulfooxy)phenyl]prop-2-enoic acid
| Molecular Formula | C9H8O6S |
|---|---|
| Molecular Weight | 244.00 g/mol |
| LogP | 0.966 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.00417 |
| Heavy Atoms | 16 |
| Complexity | 516.55566 |
Chemical Identifiers
| CAS Number | 86321-30-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OS(=O)(=O)O)/C=C/C(=O)O |
Product Overview
(E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid (CAS 86321-30-4), with molecular formula C9H8O6S and molecular weight 244.00 g/mol. IUPAC: (E)-3-(3-sulfooxyphenyl)prop-2-enoic acid.
Chemical Property Profile of (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid
Property Insights of (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid
The XLogP value of 0.966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid. Following Lipinski's Rule of Five, (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid has 2 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 (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid?
The CAS number of (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid is 86321-30-4.
What is the molecular formula of (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid?
The molecular formula of (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid is C9H8O6S.
What is the molecular weight of (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid?
The molecular weight of (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid is 244.00 g/mol.
Where can I buy (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid?
You can request a quote for (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-sulfooxyphenyl)prop-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.