2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester
TL;DR: 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester (CAS 61434-02-4) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethoxy-2-oxoethyl) 2-cyanoprop-2-enoate
Also Known As: Ethoxycarbonylmethyl 2-cyanoprop-2-enoate, (2-ethoxy-2-oxoethyl) 2-cyanoprop-2-enoate, 2-ETHOXY-2-OXOETHYL 2-CYANOPROP-2-ENOATE, 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | 0.17248 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 263.80783 |
Chemical Identifiers
| CAS Number | 61434-02-4 |
|---|---|
| SMILES | CCOC(=O)COC(=O)C(=C)C#N |
Product Overview
2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester (CAS 61434-02-4), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: (2-ethoxy-2-oxoethyl) 2-cyanoprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester
Property Insights of 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester
The XLogP value of 0.17248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester has 0 hydrogen bond donor(s) and 5 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-, 2-ethoxy-2-oxoethyl ester?
The CAS number of 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester is 61434-02-4.
What is the molecular formula of 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester?
The molecular formula of 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester is C8H9NO4.
What is the molecular weight of 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester?
The molecular weight of 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester is 183.05 g/mol.
Where can I buy 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester?
You can request a quote for 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl 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-, 2-ethoxy-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-cyano-, 2-ethoxy-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.