2-Cyano-3-phenyl-2-propenoate
TL;DR: 2-Cyano-3-phenyl-2-propenoate (CAS 101225-68-7) is a chemical compound with molecular formula C10H6NO2- and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-cyano-3-phenylprop-2-enoate
Also Known As: 2-cyano-3-phenyl-2-propenoate, (E)-2-cyano-3-phenylprop-2-enoate, (E)-2-cyano-3-phenyl-2-propenoate ion, (E)-2-Cyano-3-phenyl-acrylic acid anion
| Molecular Formula | C10H6NO2- |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 0.34348 |
| Topological Polar Surface Area | 63.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.03986 |
| Heavy Atoms | 13 |
| Complexity | 373.66125 |
Chemical Identifiers
| CAS Number | 101225-68-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(\C#N)/C(=O)[O-] |
Product Overview
2-Cyano-3-phenyl-2-propenoate (CAS 101225-68-7), with molecular formula C10H6NO2- and molecular weight 172.04 g/mol. IUPAC: (E)-2-cyano-3-phenylprop-2-enoate.
Chemical Property Profile of 2-Cyano-3-phenyl-2-propenoate
Property Insights of 2-Cyano-3-phenyl-2-propenoate
The XLogP value of 0.34348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-phenyl-2-propenoate. The TPSA of 63.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-phenyl-2-propenoate. Following Lipinski's Rule of Five, 2-Cyano-3-phenyl-2-propenoate has 0 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 2-Cyano-3-phenyl-2-propenoate?
The CAS number of 2-Cyano-3-phenyl-2-propenoate is 101225-68-7.
What is the molecular formula of 2-Cyano-3-phenyl-2-propenoate?
The molecular formula of 2-Cyano-3-phenyl-2-propenoate is C10H6NO2-.
What is the molecular weight of 2-Cyano-3-phenyl-2-propenoate?
The molecular weight of 2-Cyano-3-phenyl-2-propenoate is 172.04 g/mol.
Where can I buy 2-Cyano-3-phenyl-2-propenoate?
You can request a quote for 2-Cyano-3-phenyl-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-phenyl-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-phenyl-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.