Methyl (2Z)-2-cyano-3-phenyl-2-propenoate
TL;DR: Methyl (2Z)-2-cyano-3-phenyl-2-propenoate (CAS 14533-86-9) 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.
methyl (Z)-2-cyano-3-phenylprop-2-enoate
Also Known As: Methyl benzalcynaoacetate, Methyl alpha-cyanocinnamate, Methyl .alpha.-cyanocinnamate, Methyl 2-cyano-3-phenylacrylate, 2-Propenoic acid, methyl ester
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 1.76658 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 387.4986 |
Chemical Identifiers
| CAS Number | 14533-86-9 |
|---|---|
| SMILES | COC(=O)/C(=C\C1=CC=CC=C1)/C#N |
Product Overview
Methyl (2Z)-2-cyano-3-phenyl-2-propenoate (CAS 14533-86-9), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: methyl (Z)-2-cyano-3-phenylprop-2-enoate.
Chemical Property Profile of Methyl (2Z)-2-cyano-3-phenyl-2-propenoate
Property Insights of Methyl (2Z)-2-cyano-3-phenyl-2-propenoate
The XLogP value of 1.76658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2Z)-2-cyano-3-phenyl-2-propenoate. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl (2Z)-2-cyano-3-phenyl-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (2Z)-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 Methyl (2Z)-2-cyano-3-phenyl-2-propenoate?
The CAS number of Methyl (2Z)-2-cyano-3-phenyl-2-propenoate is 14533-86-9.
What is the molecular formula of Methyl (2Z)-2-cyano-3-phenyl-2-propenoate?
The molecular formula of Methyl (2Z)-2-cyano-3-phenyl-2-propenoate is C11H9NO2.
What is the molecular weight of Methyl (2Z)-2-cyano-3-phenyl-2-propenoate?
The molecular weight of Methyl (2Z)-2-cyano-3-phenyl-2-propenoate is 187.06 g/mol.
Where can I buy Methyl (2Z)-2-cyano-3-phenyl-2-propenoate?
You can request a quote for Methyl (2Z)-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 Methyl (2Z)-2-cyano-3-phenyl-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2Z)-2-cyano-3-phenyl-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.