2-((Butylamino)carbonyl)cyclohexanecarboxylic acid
TL;DR: 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid (CAS 438613-40-2) is a chemical compound with molecular formula C12H21NO3 and molecular weight 227.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(butylcarbamoyl)cyclohexane-1-carboxylic acid
Also Known As: 2-[(BUTYLAMINO)CARBONYL]CYCLOHEXANECARBOXYLIC ACID, 2-(butylcarbamoyl)cyclohexane-1-carboxylic Acid, 2-(butylcarbamoyl)cyclohexanecarboxylic acid, CHEMBRDG-BB 6107143, 3644AE
| Molecular Formula | C12H21NO3 |
|---|---|
| Molecular Weight | 227.15 g/mol |
| LogP | 1.7937 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.15215 |
| Heavy Atoms | 16 |
| Complexity | 252.64842 |
Chemical Identifiers
| CAS Number | 438613-40-2 |
|---|---|
| SMILES | CCCCNC(=O)C1CCCCC1C(=O)O |
Product Overview
2-((Butylamino)carbonyl)cyclohexanecarboxylic acid (CAS 438613-40-2), with molecular formula C12H21NO3 and molecular weight 227.15 g/mol. IUPAC: 2-(butylcarbamoyl)cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid
Property Insights of 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid
The XLogP value of 1.7937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid has 2 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 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid?
The CAS number of 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid is 438613-40-2.
What is the molecular formula of 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid?
The molecular formula of 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid is C12H21NO3.
What is the molecular weight of 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid?
The molecular weight of 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid is 227.15 g/mol.
Where can I buy 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid?
You can request a quote for 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((Butylamino)carbonyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.