5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide
TL;DR: 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide (CAS 443111-59-9) is a chemical compound with molecular formula C18H19N5O and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-N-benzyl-1-(3,5-dimethylphenyl)triazole-4-carboxamide
Also Known As: 5-amino-N-benzyl-1-(3,5-dimethylphenyl)triazole-4-carboxamide, 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide, 5-amino-N-benzyl-1-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide, [5-amino-1-(3,5-dimethylphenyl)(1,2,3-triazol-4-yl)]-N-benzylcarboxamide
| Molecular Formula | C18H19N5O |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 2.39634 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.15897 |
| Heavy Atoms | 24 |
| Complexity | 850.12054 |
Chemical Identifiers
| CAS Number | 443111-59-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=C3)N)C |
Product Overview
5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide (CAS 443111-59-9), with molecular formula C18H19N5O and molecular weight 321.16 g/mol. IUPAC: 5-amino-N-benzyl-1-(3,5-dimethylphenyl)triazole-4-carboxamide.
Chemical Property Profile of 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide
Property Insights of 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide
The XLogP value of 2.39634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide. Following Lipinski's Rule of Five, 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide 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-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide?
The CAS number of 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide is 443111-59-9.
What is the molecular formula of 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide?
The molecular formula of 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide is C18H19N5O.
What is the molecular weight of 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide?
The molecular weight of 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide is 321.16 g/mol.
Where can I buy 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide?
You can request a quote for 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide 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-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(3,5-dimethylphenyl)-N-(phenylmethyl)-4-triazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.