2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl-
TL;DR: 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl- (CAS 89636-06-6) is a chemical compound with molecular formula C11H10O3S and molecular weight 222.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-4-oxo-4-phenylbut-2-enoic acid
Also Known As: 2-methylsulfanyl-4-oxo-4-phenylbut-2-enoic acid, 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl-, (Z)-2-methylsulfanyl-4-oxo-4-phenylbut-2-enoic acid
| Molecular Formula | C11H10O3S |
|---|---|
| Molecular Weight | 222.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.03506 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 89636-06-6 |
|---|---|
| SMILES | CSC(=CC(=O)C1=CC=CC=C1)C(=O)O |
| InChIKey | FRKNBINFSSWNCO-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl- (CAS 89636-06-6), with molecular formula C11H10O3S and molecular weight 222.04 g/mol. IUPAC: 2-methylsulfanyl-4-oxo-4-phenylbut-2-enoic acid.
Chemical Property Profile of 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl-
Property Insights of 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl-. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl-. Following Lipinski's Rule of Five, 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl- has 1 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-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl-?
The CAS number of 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl- is 89636-06-6.
What is the molecular formula of 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl-?
The molecular formula of 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl- is C11H10O3S.
What is the molecular weight of 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl-?
The molecular weight of 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl- is 222.04 g/mol.
Where can I buy 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl-?
You can request a quote for 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid,2-(methylthio)-4-oxo-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.