2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester
TL;DR: 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester (CAS 759-54-6) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-methylhex-2-enoate
Also Known As: Ethyl 2-cyano-3-methylhex-2-enoate, ethyl 2-cyano-3-methyl-hex-2-enoate, 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 759-54-6 |
|---|---|
| SMILES | CCCC(=C(C#N)C(=O)OCC)C |
| InChIKey | WSQKZATUBMGUQX-UHFFFAOYSA-N |
Product Overview
2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester (CAS 759-54-6), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: ethyl 2-cyano-3-methylhex-2-enoate.
Chemical Property Profile of 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester
Property Insights of 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexenoic acid,2-cyano-3-methyl-, 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-Hexenoic acid,2-cyano-3-methyl-, ethyl ester?
The CAS number of 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester is 759-54-6.
What is the molecular formula of 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester?
The molecular formula of 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester is C10H15NO2.
What is the molecular weight of 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester?
The molecular weight of 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester is 181.11 g/mol.
Where can I buy 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester?
You can request a quote for 2-Hexenoic acid,2-cyano-3-methyl-, 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-Hexenoic acid,2-cyano-3-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Hexenoic acid,2-cyano-3-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.