![N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide structure](/static/products/828/828291-38-9.png)
N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
TL;DR: N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 828291-38-9) is a chemical compound with molecular formula C18H14ClFN4O3 and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Also Known As: N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide, N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| Molecular Formula | C18H14ClFN4O3 |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 3.1424 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.07385 |
| Heavy Atoms | 27 |
| Complexity | 987.77185 |
Chemical Identifiers
| CAS Number | 828291-38-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C(=O)NC3=NN(C=N3)CC4=C(C=CC=C4Cl)F |
Product Overview
N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CAS 828291-38-9), with molecular formula C18H14ClFN4O3 and molecular weight 388.07 g/mol. IUPAC: N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
Chemical Property Profile of N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Property Insights of N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
The XLogP value of 3.1424 indicates that N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-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-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide. Following Lipinski's Rule of Five, N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-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-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The CAS number of N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 828291-38-9.
What is the molecular formula of N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular formula of N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C18H14ClFN4O3.
What is the molecular weight of N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The molecular weight of N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is 388.07 g/mol.
Where can I buy N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
You can request a quote for N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-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-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(2-chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.