1-Cyanocyclopropanecarboxylic acid
TL;DR: 1-Cyanocyclopropanecarboxylic acid (CAS 6797-79-1) is a chemical compound with molecular formula C5H5NO2 and molecular weight 111.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyanocyclopropane-1-carboxylic acid
Also Known As: 1-cyanocyclopropanecarboxylic acid, 1-Cyano-1-cyclopropanecarboxylic acid, 1-cyanocyclopropane-1-carboxylic Acid, Cyclopropane, 4, 1-Benzyl-3-pyrroline
| Molecular Formula | C5H5NO2 |
|---|---|
| Molecular Weight | 111.03 g/mol |
| LogP | 0.37478 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.03203 |
| Heavy Atoms | 8 |
| Complexity | 163.7577 |
Chemical Identifiers
| CAS Number | 6797-79-1 |
|---|---|
| SMILES | C1CC1(C#N)C(=O)O |
Product Overview
1-Cyanocyclopropanecarboxylic acid (CAS 6797-79-1), with molecular formula C5H5NO2 and molecular weight 111.03 g/mol. IUPAC: 1-cyanocyclopropane-1-carboxylic acid.
Chemical Property Profile of 1-Cyanocyclopropanecarboxylic acid
Property Insights of 1-Cyanocyclopropanecarboxylic acid
The XLogP value of 0.37478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyanocyclopropanecarboxylic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Cyanocyclopropanecarboxylic acid. Following Lipinski's Rule of Five, 1-Cyanocyclopropanecarboxylic 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 1-Cyanocyclopropanecarboxylic acid?
The CAS number of 1-Cyanocyclopropanecarboxylic acid is 6797-79-1.
What is the molecular formula of 1-Cyanocyclopropanecarboxylic acid?
The molecular formula of 1-Cyanocyclopropanecarboxylic acid is C5H5NO2.
What is the molecular weight of 1-Cyanocyclopropanecarboxylic acid?
The molecular weight of 1-Cyanocyclopropanecarboxylic acid is 111.03 g/mol.
Where can I buy 1-Cyanocyclopropanecarboxylic acid?
You can request a quote for 1-Cyanocyclopropanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyanocyclopropanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyanocyclopropanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.