4-Cyano-4-methylbutanoic acid
TL;DR: 4-Cyano-4-methylbutanoic acid (CAS 23886-52-4) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyanopentanoic acid
Also Known As: 4-cyanopentanoic Acid, 4-cyanovaleric acid, 4-cyano pentanoic acid, 4-cyano-4-methylbutanoic acid, J1.224.490H
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 1.01088 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 136.4835 |
Chemical Identifiers
| CAS Number | 23886-52-4 |
|---|---|
| SMILES | CC(CCC(=O)O)C#N |
Product Overview
4-Cyano-4-methylbutanoic acid (CAS 23886-52-4), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 4-cyanopentanoic acid.
Chemical Property Profile of 4-Cyano-4-methylbutanoic acid
Property Insights of 4-Cyano-4-methylbutanoic acid
The XLogP value of 1.01088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-4-methylbutanoic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-4-methylbutanoic acid. Following Lipinski's Rule of Five, 4-Cyano-4-methylbutanoic acid has 1 hydrogen bond donor(s) and 2 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 4-Cyano-4-methylbutanoic acid?
The CAS number of 4-Cyano-4-methylbutanoic acid is 23886-52-4.
What is the molecular formula of 4-Cyano-4-methylbutanoic acid?
The molecular formula of 4-Cyano-4-methylbutanoic acid is C6H9NO2.
What is the molecular weight of 4-Cyano-4-methylbutanoic acid?
The molecular weight of 4-Cyano-4-methylbutanoic acid is 127.06 g/mol.
Where can I buy 4-Cyano-4-methylbutanoic acid?
You can request a quote for 4-Cyano-4-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-4-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-4-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.