(2E)-3-(benzenesulfonyl)prop-2-enoic acid
TL;DR: (2E)-3-(benzenesulfonyl)prop-2-enoic acid (CAS 711-30-8) is a chemical compound with molecular formula C9H8O4S and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(benzenesulfonyl)prop-2-enoic acid
Also Known As: (2E)-3-(benzenesulfonyl)prop-2-enoic acid, (E)-3-(Phenylsulfonyl)acrylic acid, 3-(phenylsulfonyl)acrylic acid, 3-(BENZENESULFONYL)PROP-2-ENOIC ACID, (2E)-3-(phenylsulfonyl)acrylic acid
| Molecular Formula | C9H8O4S |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 1.0586 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.01433 |
| Heavy Atoms | 14 |
| Complexity | 444.9601 |
Chemical Identifiers
| CAS Number | 711-30-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)/C=C/C(=O)O |
Product Overview
(2E)-3-(benzenesulfonyl)prop-2-enoic acid (CAS 711-30-8), with molecular formula C9H8O4S and molecular weight 212.01 g/mol. IUPAC: (E)-3-(benzenesulfonyl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(benzenesulfonyl)prop-2-enoic acid
Property Insights of (2E)-3-(benzenesulfonyl)prop-2-enoic acid
The XLogP value of 1.0586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(benzenesulfonyl)prop-2-enoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(benzenesulfonyl)prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-(benzenesulfonyl)prop-2-enoic acid has 1 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 (2E)-3-(benzenesulfonyl)prop-2-enoic acid?
The CAS number of (2E)-3-(benzenesulfonyl)prop-2-enoic acid is 711-30-8.
What is the molecular formula of (2E)-3-(benzenesulfonyl)prop-2-enoic acid?
The molecular formula of (2E)-3-(benzenesulfonyl)prop-2-enoic acid is C9H8O4S.
What is the molecular weight of (2E)-3-(benzenesulfonyl)prop-2-enoic acid?
The molecular weight of (2E)-3-(benzenesulfonyl)prop-2-enoic acid is 212.01 g/mol.
Where can I buy (2E)-3-(benzenesulfonyl)prop-2-enoic acid?
You can request a quote for (2E)-3-(benzenesulfonyl)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 (2E)-3-(benzenesulfonyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(benzenesulfonyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.