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N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine
TL;DR: N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine (CAS 353469-26-8) is a chemical compound with molecular formula C11H14N4O2 and molecular weight 234.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine
Also Known As: BAS 02073820, (3,4-Dimethoxy-benzyl)-[1,2,4]triazol-4-yl-amine, N-(3,4-dimethoxybenzyl)-N-(4H-1,2,4-triazol-4-yl)amine, N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine, N-(3,4-dimethoxybenzyl)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C11H14N4O2 |
|---|---|
| Molecular Weight | 234.11 g/mol |
| LogP | 1.039 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.11168 |
| Heavy Atoms | 17 |
| Complexity | 470.3286 |
Chemical Identifiers
| CAS Number | 353469-26-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNN2C=NN=C2)OC |
Product Overview
N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine (CAS 353469-26-8), with molecular formula C11H14N4O2 and molecular weight 234.11 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine
Property Insights of N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine
The XLogP value of 1.039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, N-[(3,4-dimethoxyphenyl)methyl]-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-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The CAS number of N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine is 353469-26-8.
What is the molecular formula of N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The molecular formula of N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine is C11H14N4O2.
What is the molecular weight of N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The molecular weight of N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine is 234.11 g/mol.
Where can I buy N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
You can request a quote for N-[(3,4-dimethoxyphenyl)methyl]-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-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.