cyanomethyl (E)-3-phenylprop-2-enoate
TL;DR: cyanomethyl (E)-3-phenylprop-2-enoate (CAS 21955-00-0) 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.
cyanomethyl (E)-3-phenylprop-2-enoate
Also Known As: cyanomethyl 3-phenylacrylate, Cinnamic acid cyanomethyl ester, cyanomethyl (2Z)-3-phenylprop-2-enoate, trans-Cinnamic acid cyanomethyl ester, cyanomethyl (E)-3-phenylprop-2-enoate
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 21955-00-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)OCC#N |
| InChIKey | MVTSKCGLGNTMPA-VOTSOKGWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cyanomethyl (E)-3-phenylprop-2-enoate (CAS 21955-00-0), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: cyanomethyl (E)-3-phenylprop-2-enoate.
Chemical Property Profile of cyanomethyl (E)-3-phenylprop-2-enoate
Property Insights of cyanomethyl (E)-3-phenylprop-2-enoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyanomethyl (E)-3-phenylprop-2-enoate. With a topological polar surface area (TPSA) of 50.1 Ų, cyanomethyl (E)-3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cyanomethyl (E)-3-phenylprop-2-enoate 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 cyanomethyl (E)-3-phenylprop-2-enoate?
The CAS number of cyanomethyl (E)-3-phenylprop-2-enoate is 21955-00-0.
What is the molecular formula of cyanomethyl (E)-3-phenylprop-2-enoate?
The molecular formula of cyanomethyl (E)-3-phenylprop-2-enoate is C11H9NO2.
What is the molecular weight of cyanomethyl (E)-3-phenylprop-2-enoate?
The molecular weight of cyanomethyl (E)-3-phenylprop-2-enoate is 187.06 g/mol.
Where can I buy cyanomethyl (E)-3-phenylprop-2-enoate?
You can request a quote for cyanomethyl (E)-3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyanomethyl (E)-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for cyanomethyl (E)-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.