2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester
TL;DR: 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester (CAS 68350-76-5) is a chemical compound with molecular formula C7H9NO3 and molecular weight 155.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-methoxyprop-2-enoate
Also Known As: Ethyl 2-cyano-3-methoxyprop-2-enoate, 2-Cyano-3-methoxyacrylic acid ethyl ester, 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester, ethyl (E)-2-cyano-3-methoxyprop-2-enoate, Ethyl (2E)-2-cyano-3-methoxy-2-propenoate
| Molecular Formula | C7H9NO3 |
|---|---|
| Molecular Weight | 155.06 g/mol |
| LogP | 0.60338 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.05824 |
| Heavy Atoms | 11 |
| Complexity | 202.22145 |
Chemical Identifiers
| CAS Number | 68350-76-5 |
|---|---|
| SMILES | CCOC(=O)/C(=C/OC)/C#N |
Product Overview
2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester (CAS 68350-76-5), with molecular formula C7H9NO3 and molecular weight 155.06 g/mol. IUPAC: ethyl (E)-2-cyano-3-methoxyprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester
Property Insights of 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester
The XLogP value of 0.60338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester. With a topological polar surface area (TPSA) of 59.32 Ų, 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester has 0 hydrogen bond donor(s) and 4 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-methoxy-, ethyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester is 68350-76-5.
What is the molecular formula of 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester is C7H9NO3.
What is the molecular weight of 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester is 155.06 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl 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-methoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-3-methoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.