2-Cyano-2-isopropyl-3-methylbutanoic acid
TL;DR: 2-Cyano-2-isopropyl-3-methylbutanoic acid (CAS 866-29-5) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-methyl-2-propan-2-ylbutanoic acid
Also Known As: diisopropyl cyanacetic acid, di-isopropylcyanoacetic acid, 2-Cyano-2-isopropyl-3-methylbutanoic acid, 2-Cyano-2-isopropyl-3-methylbutyric acid, 2-cyano-3-methyl-2-propan-2-ylbutanoic acid
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 866-29-5 |
|---|---|
| SMILES | CC(C)C(C#N)(C(C)C)C(=O)O |
| InChIKey | UGKAGYIWOQXPKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyano-2-isopropyl-3-methylbutanoic acid (CAS 866-29-5), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: 2-cyano-3-methyl-2-propan-2-ylbutanoic acid.
Chemical Property Profile of 2-Cyano-2-isopropyl-3-methylbutanoic acid
Property Insights of 2-Cyano-2-isopropyl-3-methylbutanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-2-isopropyl-3-methylbutanoic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-2-isopropyl-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-Cyano-2-isopropyl-3-methylbutanoic 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-2-isopropyl-3-methylbutanoic acid?
The CAS number of 2-Cyano-2-isopropyl-3-methylbutanoic acid is 866-29-5.
What is the molecular formula of 2-Cyano-2-isopropyl-3-methylbutanoic acid?
The molecular formula of 2-Cyano-2-isopropyl-3-methylbutanoic acid is C9H15NO2.
What is the molecular weight of 2-Cyano-2-isopropyl-3-methylbutanoic acid?
The molecular weight of 2-Cyano-2-isopropyl-3-methylbutanoic acid is 169.11 g/mol.
Where can I buy 2-Cyano-2-isopropyl-3-methylbutanoic acid?
You can request a quote for 2-Cyano-2-isopropyl-3-methylbutanoic 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-2-isopropyl-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-2-isopropyl-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.