2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester
TL;DR: 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester (CAS 868-00-8) 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-3,4-dimethylpent-2-enoate
Also Known As: ethyl 2-cyano-3,4-dimethylpent-2-enoate, Ethyl 2-cyano-3,4-dimethyl-pent-2-enoate, 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester, (1,2-Dimethyl-propyliden)-cyanessigsaeure-ethylester, 2-CYANO-3,4-DIMETHYL-PENT-2-ENOIC ACID ETHYL ESTER
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 2.04558 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 258.58853 |
Chemical Identifiers
| CAS Number | 868-00-8 |
|---|---|
| SMILES | CCOC(=O)C(=C(C)C(C)C)C#N |
Product Overview
2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester (CAS 868-00-8), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: ethyl 2-cyano-3,4-dimethylpent-2-enoate.
Chemical Property Profile of 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester
Property Insights of 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester
The XLogP value of 2.04558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester. With a topological polar surface area (TPSA) of 50.09 Ų, 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, 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-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester?
The CAS number of 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester is 868-00-8.
What is the molecular formula of 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester?
The molecular formula of 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester is C10H15NO2.
What is the molecular weight of 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester?
The molecular weight of 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester is 181.11 g/mol.
Where can I buy 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester?
You can request a quote for 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, 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-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentenoic acid, 2-cyano-3,4-dimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.