N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide
TL;DR: N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 444937-93-3) is a chemical compound with molecular formula C25H26BrN5O and molecular weight 491.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Also Known As: N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide, N-(3-anilinophenyl)-3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide, N~1~-(3-ANILINOPHENYL)-3-(3-BROMO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTANECARBOXAMIDE, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-[3-(phenylamino)phenyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C25H26BrN5O |
|---|---|
| Molecular Weight | 491.13 g/mol |
| LogP | 5.7184 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 491.13208 |
| Heavy Atoms | 32 |
| Complexity | 1145.9037 |
Chemical Identifiers
| CAS Number | 444937-93-3 |
|---|---|
| SMILES | C1C2CC3(CC1CC(C2)(C3)N4C=NC(=N4)Br)C(=O)NC5=CC=CC(=C5)NC6=CC=CC=C6 |
Product Overview
N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 444937-93-3), with molecular formula C25H26BrN5O and molecular weight 491.13 g/mol. IUPAC: N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Property Insights of N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide
The XLogP value of 5.7184 indicates that N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide. Following Lipinski's Rule of Five, N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The CAS number of N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 444937-93-3.
What is the molecular formula of N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular formula of N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide is C25H26BrN5O.
What is the molecular weight of N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular weight of N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide is 491.13 g/mol.
Where can I buy N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
You can request a quote for N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-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 N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-anilinophenyl)-3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.