cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate
TL;DR: cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate (CAS 90997-00-5) is a chemical compound with molecular formula C16H28N4O3 and molecular weight 324.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexanamine;methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate
Also Known As: cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate, cyclohexanamine,methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carb, Methyl 1-cyclohexyl-5-oxo-2,5-dihydro-1H-1,2,3-triazole-4-carboxylate--cyclohexanamine (1/1)
| Molecular Formula | C16H28N4O3 |
|---|---|
| Molecular Weight | 324.22 g/mol |
| LogP | 2.141 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.21616 |
| Heavy Atoms | 23 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 90997-00-5 |
|---|---|
| SMILES | COC(=O)C1=NNN(C1=O)C2CCCCC2.C1CCC(CC1)N |
| InChIKey | CUQMVDSLAVHROB-UHFFFAOYSA-N |
Product Overview
cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate (CAS 90997-00-5), with molecular formula C16H28N4O3 and molecular weight 324.22 g/mol. IUPAC: cyclohexanamine;methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate.
Chemical Property Profile of cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate
Property Insights of cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate
The XLogP value of 2.141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate. Following Lipinski's Rule of Five, cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate has 2 hydrogen bond donor(s) and 6 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 cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate?
The CAS number of cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate is 90997-00-5.
What is the molecular formula of cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate?
The molecular formula of cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate is C16H28N4O3.
What is the molecular weight of cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate?
The molecular weight of cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate is 324.22 g/mol.
Where can I buy cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate?
You can request a quote for cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for cyclohexanamine; methyl 1-cyclohexyl-5-oxo-2H-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.