N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine
TL;DR: N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine (CAS 892605-00-4) is a chemical compound with molecular formula C11H13BrN4O2 and molecular weight 312.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine
Also Known As: N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine, N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine
| Molecular Formula | C11H13BrN4O2 |
|---|---|
| Molecular Weight | 312.02 g/mol |
| LogP | 1.8015 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.0222 |
| Heavy Atoms | 18 |
| Complexity | 516.0118 |
Chemical Identifiers
| CAS Number | 892605-00-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNN2C=NN=C2)Br)OC |
Product Overview
N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine (CAS 892605-00-4), with molecular formula C11H13BrN4O2 and molecular weight 312.02 g/mol. IUPAC: N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine
Property Insights of N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine
The XLogP value of 1.8015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine has 1 hydrogen bond donor(s) and 5 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 N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine?
The CAS number of N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine is 892605-00-4.
What is the molecular formula of N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine?
The molecular formula of N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine is C11H13BrN4O2.
What is the molecular weight of N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine?
The molecular weight of N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine is 312.02 g/mol.
Where can I buy N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine?
You can request a quote for N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-bromo-4,5-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.