![5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide structure](/static/products/866/866347-75-3.png)
5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
TL;DR: 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide (CAS 866347-75-3) is a chemical compound with molecular formula C18H17BrFN5O3 and molecular weight 449.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
Also Known As: 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide, 5-amino-1-(4-bromo-2-fluorobenzyl)-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, ULJ
| Molecular Formula | C18H17BrFN5O3 |
|---|---|
| Molecular Weight | 449.05 g/mol |
| LogP | 3.0797 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.04987 |
| Heavy Atoms | 28 |
| Complexity | 1024.4508 |
Chemical Identifiers
| CAS Number | 866347-75-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N |
Product Overview
5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide (CAS 866347-75-3), with molecular formula C18H17BrFN5O3 and molecular weight 449.05 g/mol. IUPAC: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide.
Chemical Property Profile of 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
Property Insights of 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
The XLogP value of 3.0797 indicates that 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide. Following Lipinski's Rule of Five, 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide has 2 hydrogen bond donor(s) and 6 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-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide?
The CAS number of 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide is 866347-75-3.
What is the molecular formula of 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide?
The molecular formula of 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide is C18H17BrFN5O3.
What is the molecular weight of 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide?
The molecular weight of 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide is 449.05 g/mol.
Where can I buy 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide?
You can request a quote for 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)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-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.