(E)-Methyl 3-cyano-2-propenoate
TL;DR: (E)-Methyl 3-cyano-2-propenoate (CAS 44653-08-9) is a chemical compound with molecular formula C5H5NO2 and molecular weight 111.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-cyanoprop-2-enoate
Also Known As: Mecrylate, Methyl cyanoacrylate, Methyl 3-cyanoacrylate, Methyl3-cyanoacrylate, methyl-3-cyanoacrylate
| Molecular Formula | C5H5NO2 |
|---|---|
| Molecular Weight | 111.03 g/mol |
| LogP | 0.23918 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.03203 |
| Heavy Atoms | 8 |
| Complexity | 142.99788 |
Chemical Identifiers
| CAS Number | 44653-08-9 |
|---|---|
| SMILES | COC(=O)/C=C/C#N |
Product Overview
(E)-Methyl 3-cyano-2-propenoate (CAS 44653-08-9), with molecular formula C5H5NO2 and molecular weight 111.03 g/mol. IUPAC: methyl (E)-3-cyanoprop-2-enoate.
Chemical Property Profile of (E)-Methyl 3-cyano-2-propenoate
Property Insights of (E)-Methyl 3-cyano-2-propenoate
The XLogP value of 0.23918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-Methyl 3-cyano-2-propenoate. With a topological polar surface area (TPSA) of 50.09 Ų, (E)-Methyl 3-cyano-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-Methyl 3-cyano-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 (E)-Methyl 3-cyano-2-propenoate?
The CAS number of (E)-Methyl 3-cyano-2-propenoate is 44653-08-9.
What is the molecular formula of (E)-Methyl 3-cyano-2-propenoate?
The molecular formula of (E)-Methyl 3-cyano-2-propenoate is C5H5NO2.
What is the molecular weight of (E)-Methyl 3-cyano-2-propenoate?
The molecular weight of (E)-Methyl 3-cyano-2-propenoate is 111.03 g/mol.
Where can I buy (E)-Methyl 3-cyano-2-propenoate?
You can request a quote for (E)-Methyl 3-cyano-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-Methyl 3-cyano-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-Methyl 3-cyano-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.