Ethyl 2-((phenylsulfonyl)methyl)acrylate
TL;DR: Ethyl 2-((phenylsulfonyl)methyl)acrylate (CAS 89295-32-9) is a chemical compound with molecular formula C12H14O4S and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzenesulfonylmethyl)prop-2-enoate
Also Known As: Ethyl 2-((phenylsulfonyl)methyl)acrylate, ETHYL- -ACRYLATE, ethyl 2-(benzenesulfonylmethyl)prop-2-enoate, ETHYL-(2-PHENYLSULFOMETHYL)-ACRYLATE, 2-carbethoxyallyl phenyl sulphone
| Molecular Formula | C12H14O4S |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.06128 |
| Heavy Atoms | 17 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 89295-32-9 |
|---|---|
| SMILES | CCOC(=O)C(=C)CS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | IPHGVOCQEKWURA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-((phenylsulfonyl)methyl)acrylate (CAS 89295-32-9), with molecular formula C12H14O4S and molecular weight 254.06 g/mol. IUPAC: ethyl 2-(benzenesulfonylmethyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-((phenylsulfonyl)methyl)acrylate
Property Insights of Ethyl 2-((phenylsulfonyl)methyl)acrylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((phenylsulfonyl)methyl)acrylate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((phenylsulfonyl)methyl)acrylate. Following Lipinski's Rule of Five, Ethyl 2-((phenylsulfonyl)methyl)acrylate has 0 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 Ethyl 2-((phenylsulfonyl)methyl)acrylate?
The CAS number of Ethyl 2-((phenylsulfonyl)methyl)acrylate is 89295-32-9.
What is the molecular formula of Ethyl 2-((phenylsulfonyl)methyl)acrylate?
The molecular formula of Ethyl 2-((phenylsulfonyl)methyl)acrylate is C12H14O4S.
What is the molecular weight of Ethyl 2-((phenylsulfonyl)methyl)acrylate?
The molecular weight of Ethyl 2-((phenylsulfonyl)methyl)acrylate is 254.06 g/mol.
Where can I buy Ethyl 2-((phenylsulfonyl)methyl)acrylate?
You can request a quote for Ethyl 2-((phenylsulfonyl)methyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((phenylsulfonyl)methyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((phenylsulfonyl)methyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.