2-Cyano-3,3-dimethyl-4-oxopentanoic acid
TL;DR: 2-Cyano-3,3-dimethyl-4-oxopentanoic acid (CAS 304872-52-4) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3,3-dimethyl-4-oxopentanoic acid
Also Known As: 2-cyano-3,3-dimethyl-4-oxopentanoic acid, 2-cyano-3,3-dimethyl-4-oxo-pentanoic Acid
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 0.82598 |
| Topological Polar Surface Area | 78.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 249.51881 |
Chemical Identifiers
| CAS Number | 304872-52-4 |
|---|---|
| SMILES | CC(=O)C(C)(C)C(C#N)C(=O)O |
Product Overview
2-Cyano-3,3-dimethyl-4-oxopentanoic acid (CAS 304872-52-4), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: 2-cyano-3,3-dimethyl-4-oxopentanoic acid.
Chemical Property Profile of 2-Cyano-3,3-dimethyl-4-oxopentanoic acid
Property Insights of 2-Cyano-3,3-dimethyl-4-oxopentanoic acid
The XLogP value of 0.82598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3,3-dimethyl-4-oxopentanoic acid. The TPSA of 78.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3,3-dimethyl-4-oxopentanoic acid. Following Lipinski's Rule of Five, 2-Cyano-3,3-dimethyl-4-oxopentanoic 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-3,3-dimethyl-4-oxopentanoic acid?
The CAS number of 2-Cyano-3,3-dimethyl-4-oxopentanoic acid is 304872-52-4.
What is the molecular formula of 2-Cyano-3,3-dimethyl-4-oxopentanoic acid?
The molecular formula of 2-Cyano-3,3-dimethyl-4-oxopentanoic acid is C8H11NO3.
What is the molecular weight of 2-Cyano-3,3-dimethyl-4-oxopentanoic acid?
The molecular weight of 2-Cyano-3,3-dimethyl-4-oxopentanoic acid is 169.07 g/mol.
Where can I buy 2-Cyano-3,3-dimethyl-4-oxopentanoic acid?
You can request a quote for 2-Cyano-3,3-dimethyl-4-oxopentanoic 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-3,3-dimethyl-4-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3,3-dimethyl-4-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.