![3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide structure](/static/products/4450/445021-19-2.webp)
3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide
TL;DR: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide (CAS 445021-19-2) is a chemical compound with molecular formula C26H32BrN7O2 and molecular weight 553.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide
Also Known As: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-{1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl}-1-adamantanecarboxamide, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-{1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazol-2-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 3-(3-BROMO-1H-1,2,4-TRIAZOL-1-YL)-N~1~-[1-(2-MORPHOLINOETHYL)-1H-1,3-BENZIMIDAZOL-2-YL]-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C26H32BrN7O2 |
|---|---|
| Molecular Weight | 553.18 g/mol |
| LogP | 3.6567 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 553.1801 |
| Heavy Atoms | 36 |
| Complexity | 1282.4434 |
Chemical Identifiers
| CAS Number | 445021-19-2 |
|---|---|
| SMILES | C1COCCN1CCN2C3=CC=CC=C3N=C2NC(=O)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)Br |
Product Overview
3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide (CAS 445021-19-2), with molecular formula C26H32BrN7O2 and molecular weight 553.18 g/mol. IUPAC: 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide.
Chemical Property Profile of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide
Property Insights of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide
The XLogP value of 3.6567 indicates that 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide. Following Lipinski's Rule of Five, 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide?
The CAS number of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide is 445021-19-2.
What is the molecular formula of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide?
The molecular formula of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide is C26H32BrN7O2.
What is the molecular weight of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide?
The molecular weight of 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide is 553.18 g/mol.
Where can I buy 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide?
You can request a quote for 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromo-1,2,4-triazol-1-yl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.