2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-
TL;DR: 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)- (CAS 83182-34-7) is a chemical compound with molecular formula C11H12O4S and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(benzenesulfonyl)prop-2-enoate
Also Known As: 8-bromo-3-octen-2-one, ethyl 3-(benzenesulfonyl)prop-2-enoate, ethyl 3-(phenylsulfonyl)acrylate, 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-
| Molecular Formula | C11H12O4S |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 1.5371 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.04562 |
| Heavy Atoms | 16 |
| Complexity | 473.96585 |
Chemical Identifiers
| CAS Number | 83182-34-7 |
|---|---|
| SMILES | CCOC(=O)C=CS(=O)(=O)C1=CC=CC=C1 |
Product Overview
2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)- (CAS 83182-34-7), with molecular formula C11H12O4S and molecular weight 240.05 g/mol. IUPAC: ethyl 3-(benzenesulfonyl)prop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-
Property Insights of 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-
The XLogP value of 1.5371 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)- 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 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-?
The CAS number of 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)- is 83182-34-7.
What is the molecular formula of 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-?
The molecular formula of 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)- is C11H12O4S.
What is the molecular weight of 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-?
The molecular weight of 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)- is 240.05 g/mol.
Where can I buy 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-?
You can request a quote for 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(phenylsulfonyl)-, ethyl ester, (2Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.