2-Butenoic acid, 2-cyano-, ethyl ester
TL;DR: 2-Butenoic acid, 2-cyano-, ethyl ester (CAS 65221-11-6) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyanobut-2-enoate
Also Known As: ethyl 2-cyanobut-2-enoate, 2-Butenoic acid, 2-cyano-, ethyl ester, 2-CYANO-BUT-2-ENOIC ACID ETHYL ESTER, 2-Butenoic acid, 2-cyano-, ethyl ester, (2E)-
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 65221-11-6 |
|---|---|
| SMILES | CCOC(=O)C(=CC)C#N |
| InChIKey | WIUDWAAJQVNSOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, 2-cyano-, ethyl ester (CAS 65221-11-6), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: ethyl 2-cyanobut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2-cyano-, ethyl ester
Property Insights of 2-Butenoic acid, 2-cyano-, ethyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 2-cyano-, ethyl ester. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Butenoic acid, 2-cyano-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-cyano-, ethyl ester 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-Butenoic acid, 2-cyano-, ethyl ester?
The CAS number of 2-Butenoic acid, 2-cyano-, ethyl ester is 65221-11-6.
What is the molecular formula of 2-Butenoic acid, 2-cyano-, ethyl ester?
The molecular formula of 2-Butenoic acid, 2-cyano-, ethyl ester is C7H9NO2.
What is the molecular weight of 2-Butenoic acid, 2-cyano-, ethyl ester?
The molecular weight of 2-Butenoic acid, 2-cyano-, ethyl ester is 139.06 g/mol.
Where can I buy 2-Butenoic acid, 2-cyano-, ethyl ester?
You can request a quote for 2-Butenoic acid, 2-cyano-, 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-Butenoic acid, 2-cyano-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-cyano-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.