![N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide structure](/static/products/832/832136-69-3.png)
N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide
TL;DR: N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide (CAS 832136-69-3) is a chemical compound with molecular formula C17H12Cl2N4O3 and molecular weight 390.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide
Also Known As: N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide, N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide, N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]benzo[1,3]dioxole-5-carboxamide
| Molecular Formula | C17H12Cl2N4O3 |
|---|---|
| Molecular Weight | 390.03 g/mol |
| LogP | 3.6142 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.02866 |
| Heavy Atoms | 26 |
| Complexity | 989.8894 |
Chemical Identifiers
| CAS Number | 832136-69-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN(C=N3)CC4=C(C=C(C=C4)Cl)Cl |
Product Overview
N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide (CAS 832136-69-3), with molecular formula C17H12Cl2N4O3 and molecular weight 390.03 g/mol. IUPAC: N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide
Property Insights of N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide
The XLogP value of 3.6142 indicates that N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide 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-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The CAS number of N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide is 832136-69-3.
What is the molecular formula of N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide is C17H12Cl2N4O3.
What is the molecular weight of N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide is 390.03 g/mol.
Where can I buy N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(2,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl]-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.