![5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide structure](/static/products/899/899981-63-6.png)
5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
TL;DR: 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide (CAS 899981-63-6) is a chemical compound with molecular formula C19H20BrN5O and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
Also Known As: F2691-0539, 5-amino-1-(3-bromobenzyl)-N-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide, 5-amino-1-[(3-bromophenyl)methyl]-N-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-(3-bromobenzyl)-N-(4-isopropylphenyl)-1H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C19H20BrN5O |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 4.0468 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.0851 |
| Heavy Atoms | 26 |
| Complexity | 917.93384 |
Chemical Identifiers
| CAS Number | 899981-63-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)Br)N |
Product Overview
5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide (CAS 899981-63-6), with molecular formula C19H20BrN5O and molecular weight 413.09 g/mol. IUPAC: 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide.
Chemical Property Profile of 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
Property Insights of 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
The XLogP value of 4.0468 indicates that 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide. Following Lipinski's Rule of Five, 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide has 2 hydrogen bond donor(s) and 4 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 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The CAS number of 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide is 899981-63-6.
What is the molecular formula of 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The molecular formula of 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide is C19H20BrN5O.
What is the molecular weight of 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
The molecular weight of 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide is 413.09 g/mol.
Where can I buy 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
You can request a quote for 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-[(3-bromophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.