2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester (CAS 26725-96-2) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-cyano-3-phenylprop-2-enoate
Also Known As: benzyl benzylidene-cyanoacetate, benzyl 2-cyano-3-phenylprop-2-enoate, 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester, RefChem:266297
| Molecular Formula | C17H13NO2 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 3.33698 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.09464 |
| Heavy Atoms | 20 |
| Complexity | 639.6951 |
Chemical Identifiers
| CAS Number | 26725-96-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(=CC2=CC=CC=C2)C#N |
Product Overview
2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester (CAS 26725-96-2), with molecular formula C17H13NO2 and molecular weight 263.09 g/mol. IUPAC: benzyl 2-cyano-3-phenylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester
The XLogP value of 3.33698 indicates that 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester 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-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester is 26725-96-2.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester is C17H13NO2.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester is 263.09 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester 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, 2-cyano-3-phenyl-, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-phenyl-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.