![3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide structure](/static/products/4450/445017-73-2.webp)
3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
TL;DR: 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide (CAS 445017-73-2) is a chemical compound with molecular formula C24H27BrN6O5 and molecular weight 558.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
Also Known As: 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide, 3-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}-N-[4-(4-morpholinylcarbonyl)phenyl]-1-adamantanecarboxamide, 3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[4-(morpholin-4-ylcarbonyl)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, 3-(5-BROMO-3-NITRO-1H-1,2,4-TRIAZOL-1-YL)-N~1~-[4-(MORPHOLINOCARBONYL)PHENYL]-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C24H27BrN6O5 |
|---|---|
| Molecular Weight | 558.12 g/mol |
| LogP | 3.3554 |
| Topological Polar Surface Area | 132.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 558.1226 |
| Heavy Atoms | 36 |
| Complexity | 1210.0854 |
Chemical Identifiers
| CAS Number | 445017-73-2 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)N6C(=NC(=N6)[N+](=O)[O-])Br |
Product Overview
3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide (CAS 445017-73-2), with molecular formula C24H27BrN6O5 and molecular weight 558.12 g/mol. IUPAC: 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide.
Chemical Property Profile of 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
Property Insights of 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
The XLogP value of 3.3554 indicates that 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide. Following Lipinski's Rule of Five, 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide?
The CAS number of 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide is 445017-73-2.
What is the molecular formula of 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide?
The molecular formula of 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide is C24H27BrN6O5.
What is the molecular weight of 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide?
The molecular weight of 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide is 558.12 g/mol.
Where can I buy 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide?
You can request a quote for 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]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-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.