(E)-2-Cyano-3-phenyl-2-butenoic acid
TL;DR: (E)-2-Cyano-3-phenyl-2-butenoic acid (CAS 20374-54-3) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-phenylbut-2-enoic acid
Also Known As: (E)-2-Cyano-3-phenyl-2-butenoic acid, 2-Cyan-3-phenyl-crotonsaeure, (E)-2-cyano-3-phenylbut-2-enoic acid, 2-cyano-3-phenylbut-2-enoic acid, (2E)-2-cyano-3-phenylbut-2-enoic acid
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.06828 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 412.66373 |
Chemical Identifiers
| CAS Number | 20374-54-3 |
|---|---|
| SMILES | C/C(=C(/C#N)\C(=O)O)/C1=CC=CC=C1 |
Product Overview
(E)-2-Cyano-3-phenyl-2-butenoic acid (CAS 20374-54-3), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: (E)-2-cyano-3-phenylbut-2-enoic acid.
Chemical Property Profile of (E)-2-Cyano-3-phenyl-2-butenoic acid
Property Insights of (E)-2-Cyano-3-phenyl-2-butenoic acid
The XLogP value of 2.06828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-Cyano-3-phenyl-2-butenoic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-Cyano-3-phenyl-2-butenoic acid. Following Lipinski's Rule of Five, (E)-2-Cyano-3-phenyl-2-butenoic acid has 1 hydrogen bond donor(s) and 2 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)-2-Cyano-3-phenyl-2-butenoic acid?
The CAS number of (E)-2-Cyano-3-phenyl-2-butenoic acid is 20374-54-3.
What is the molecular formula of (E)-2-Cyano-3-phenyl-2-butenoic acid?
The molecular formula of (E)-2-Cyano-3-phenyl-2-butenoic acid is C11H9NO2.
What is the molecular weight of (E)-2-Cyano-3-phenyl-2-butenoic acid?
The molecular weight of (E)-2-Cyano-3-phenyl-2-butenoic acid is 187.06 g/mol.
Where can I buy (E)-2-Cyano-3-phenyl-2-butenoic acid?
You can request a quote for (E)-2-Cyano-3-phenyl-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-Cyano-3-phenyl-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Cyano-3-phenyl-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.