2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)-
TL;DR: 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)- (CAS 18228-28-9) is a chemical compound with molecular formula C6H7NO2 and molecular weight 125.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyanoprop-2-enoate
Also Known As: ethyl 3-cyanoacrylate, Ethyl 3-cyanoprop-2-enoate, Ethyl cis-(beta-cyano)acrylate, ethyl cis-beta-cyanoacrylate, 3-ethoxycarbonylacrylonitrile
| Molecular Formula | C6H7NO2 |
|---|---|
| Molecular Weight | 125.05 g/mol |
| LogP | 0.62928 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 125.047676 |
| Heavy Atoms | 9 |
| Complexity | 154.93102 |
Chemical Identifiers
| CAS Number | 18228-28-9 |
|---|---|
| SMILES | CCOC(=O)C=CC#N |
Product Overview
2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)- (CAS 18228-28-9), with molecular formula C6H7NO2 and molecular weight 125.05 g/mol. IUPAC: ethyl 3-cyanoprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)-
Property Insights of 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)-
The XLogP value of 0.62928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)-. With a topological polar surface area (TPSA) of 50.09 Ų, 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)- 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, 3-cyano-, ethyl ester, (2Z)-?
The CAS number of 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)- is 18228-28-9.
What is the molecular formula of 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)-?
The molecular formula of 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)- is C6H7NO2.
What is the molecular weight of 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)-?
The molecular weight of 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)- is 125.05 g/mol.
Where can I buy 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)-?
You can request a quote for 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)- 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, 3-cyano-, ethyl ester, (2Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-cyano-, ethyl ester, (2Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.