2-Cyano-4-methylpent-2-enoic acid
TL;DR: 2-Cyano-4-methylpent-2-enoic acid (CAS 760-58-7) 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.
2-cyano-4-methylpent-2-enoic acid
Also Known As: 2-cyano-4-methylpent-2-enoic acid, 2-cyano-4-methyl-2-pentenoic acid, 2-cyano-4-methyl-pent-2-enoic acid, 2-Pentenoic acid,2-cyano-4-methyl-, 2-cyano4-methyl-2-pentenoic acid
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 760-58-7 |
|---|---|
| SMILES | CC(C)C=C(C#N)C(=O)O |
| InChIKey | JYFREZOLRUHBAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyano-4-methylpent-2-enoic acid (CAS 760-58-7), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: 2-cyano-4-methylpent-2-enoic acid.
Chemical Property Profile of 2-Cyano-4-methylpent-2-enoic acid
Property Insights of 2-Cyano-4-methylpent-2-enoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-4-methylpent-2-enoic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-4-methylpent-2-enoic acid. Following Lipinski's Rule of Five, 2-Cyano-4-methylpent-2-enoic acid has 1 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-Cyano-4-methylpent-2-enoic acid?
The CAS number of 2-Cyano-4-methylpent-2-enoic acid is 760-58-7.
What is the molecular formula of 2-Cyano-4-methylpent-2-enoic acid?
The molecular formula of 2-Cyano-4-methylpent-2-enoic acid is C7H9NO2.
What is the molecular weight of 2-Cyano-4-methylpent-2-enoic acid?
The molecular weight of 2-Cyano-4-methylpent-2-enoic acid is 139.06 g/mol.
Where can I buy 2-Cyano-4-methylpent-2-enoic acid?
You can request a quote for 2-Cyano-4-methylpent-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-4-methylpent-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-4-methylpent-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.