![5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide structure](/static/products/899/899736-87-9.png)
5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide
TL;DR: 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide (CAS 899736-87-9) is a chemical compound with molecular formula C18H16ClN5O3 and molecular weight 385.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide
Also Known As: 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide, 5-amino-1-(3-chlorobenzyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-(3-chlorobenzyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide, 5-amino-1-(3-chlorobenzyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-triazolecarboxamide
| Molecular Formula | C18H16ClN5O3 |
|---|---|
| Molecular Weight | 385.09 g/mol |
| LogP | 2.5855 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.09418 |
| Heavy Atoms | 27 |
| Complexity | 1004.41223 |
Chemical Identifiers
| CAS Number | 899736-87-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)C3=C(N(N=N3)CC4=CC(=CC=C4)Cl)N |
Product Overview
5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide (CAS 899736-87-9), with molecular formula C18H16ClN5O3 and molecular weight 385.09 g/mol. IUPAC: 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide.
Chemical Property Profile of 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide
Property Insights of 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide
The XLogP value of 2.5855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide. Following Lipinski's Rule of Five, 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide has 2 hydrogen bond donor(s) and 6 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-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide?
The CAS number of 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide is 899736-87-9.
What is the molecular formula of 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide?
The molecular formula of 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide is C18H16ClN5O3.
What is the molecular weight of 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide?
The molecular weight of 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide is 385.09 g/mol.
Where can I buy 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide?
You can request a quote for 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide 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-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-[(3-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.