N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
TL;DR: N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide (CAS 313388-74-8) is a chemical compound with molecular formula C14H19N5O3 and molecular weight 305.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Also Known As: BAS 00924229, N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide, N-adamantanyl-2-(3-nitro(1,2,4-triazolyl))acetamide, N-(1-adamantyl)-2-{3-nitro-1H-1,2,4-triazol-1-yl}acetamide, N-Adamantan-1-yl-2-(3-nitro-[1,2,4]triazol-1-yl)-acetamide
| Molecular Formula | C14H19N5O3 |
|---|---|
| Molecular Weight | 305.15 g/mol |
| LogP | 1.2713 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.1488 |
| Heavy Atoms | 22 |
| Complexity | 590.4652 |
Chemical Identifiers
| CAS Number | 313388-74-8 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C=NC(=N4)[N+](=O)[O-] |
Product Overview
N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide (CAS 313388-74-8), with molecular formula C14H19N5O3 and molecular weight 305.15 g/mol. IUPAC: N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
Chemical Property Profile of N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Property Insights of N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
The XLogP value of 1.2713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide has 1 hydrogen bond donor(s) and 5 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 N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The CAS number of N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is 313388-74-8.
What is the molecular formula of N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The molecular formula of N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is C14H19N5O3.
What is the molecular weight of N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
The molecular weight of N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide is 305.15 g/mol.
Where can I buy N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
You can request a quote for N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.