2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid
TL;DR: 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid (CAS 313385-57-8) is a chemical compound with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: ChemDiv3_005360, 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid, IDI1_023270, 2-((5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid, 2-{[(5-methyl-3-isoxazolyl)amino]carbonyl}cyclohexanecarboxylic acid
| Molecular Formula | C12H16N2O4 |
|---|---|
| Molecular Weight | 252.11 g/mol |
| LogP | 1.81252 |
| Topological Polar Surface Area | 92.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.11101 |
| Heavy Atoms | 18 |
| Complexity | 454.6848 |
Chemical Identifiers
| CAS Number | 313385-57-8 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2CCCCC2C(=O)O |
Product Overview
2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid (CAS 313385-57-8), with molecular formula C12H16N2O4 and molecular weight 252.11 g/mol. IUPAC: 2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid
Property Insights of 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid
The XLogP value of 1.81252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid. The TPSA of 92.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid has 2 hydrogen bond donor(s) and 4 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-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid?
The CAS number of 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid is 313385-57-8.
What is the molecular formula of 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid?
The molecular formula of 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid is C12H16N2O4.
What is the molecular weight of 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid?
The molecular weight of 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid is 252.11 g/mol.
Where can I buy 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid?
You can request a quote for 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)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-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(N-(5-Methylisoxazol-3-yl)carbamoyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.