![N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide structure](/static/products/126/1260893-18-2.png)
N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide
TL;DR: N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide (CAS 1260893-18-2) is a chemical compound with molecular formula C14H18BrN5O3 and molecular weight 383.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]acetamide
Also Known As: 4-Hydroxymethyl-4-trifluoromethyl-piperidine-1-car, A2936/0123584, N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide, N-[3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]acetamide, N-[3-(5-BROMO-3-NITRO-1H-1,2,4-TRIAZOL-1-YL)ADAMANTAN-1-YL]ACETAMIDE
| Molecular Formula | C14H18BrN5O3 |
|---|---|
| Molecular Weight | 383.06 g/mol |
| LogP | 2.1328 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.0593 |
| Heavy Atoms | 23 |
| Complexity | 688.5849 |
Chemical Identifiers
| CAS Number | 1260893-18-2 |
|---|---|
| SMILES | CC(=O)NC12CC3CC(C1)CC(C3)(C2)N4C(=NC(=N4)[N+](=O)[O-])Br |
Product Overview
N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide (CAS 1260893-18-2), with molecular formula C14H18BrN5O3 and molecular weight 383.06 g/mol. IUPAC: N-[3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-adamantyl]acetamide.
Chemical Property Profile of N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide
Property Insights of N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide
The XLogP value of 2.1328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide. Following Lipinski's Rule of Five, N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]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-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide?
The CAS number of N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide is 1260893-18-2.
What is the molecular formula of N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide?
The molecular formula of N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide is C14H18BrN5O3.
What is the molecular weight of N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide?
The molecular weight of N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide is 383.06 g/mol.
Where can I buy N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide?
You can request a quote for N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(5-bromo-3-nitro-1,2,4-triazolyl)adamantanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.