1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid
TL;DR: 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid (CAS 438604-73-0) is a chemical compound with molecular formula C13H18N4O2 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic acid
Also Known As: 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid, 1-(1-adamantyl)-5-amino-1H-1,2,4-triazole-3-carboxylic acid, 1-adamantanyl-5-amino-1,2,4-triazole-3-carboxylic acid, 5-amino-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-1,2,4-triazole-3-carboxylic acid
| Molecular Formula | C13H18N4O2 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 1.4838 |
| Topological Polar Surface Area | 94.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.14297 |
| Heavy Atoms | 19 |
| Complexity | 515.55396 |
Chemical Identifiers
| CAS Number | 438604-73-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N4C(=NC(=N4)C(=O)O)N |
Product Overview
1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid (CAS 438604-73-0), with molecular formula C13H18N4O2 and molecular weight 262.14 g/mol. IUPAC: 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic acid.
Chemical Property Profile of 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid
Property Insights of 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid
The XLogP value of 1.4838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid. The TPSA of 94.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid. Following Lipinski's Rule of Five, 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic 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 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid?
The CAS number of 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid is 438604-73-0.
What is the molecular formula of 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid?
The molecular formula of 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid is C13H18N4O2.
What is the molecular weight of 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid?
The molecular weight of 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid is 262.14 g/mol.
Where can I buy 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid?
You can request a quote for 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-adamantyl)-5-amino-1,2,4-triazole-3-carboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.