2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione
TL;DR: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione (CAS 836645-32-0) is a chemical compound with molecular formula C16H7Cl4N5O2 and molecular weight 440.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione
Also Known As: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione, 2-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindoline-1,3-dione, 2-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C16H7Cl4N5O2 |
|---|---|
| Molecular Weight | 440.94 g/mol |
| LogP | 4.2637 |
| Topological Polar Surface Area | 94.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 440.9354 |
| Heavy Atoms | 27 |
| Complexity | 1082.8296 |
Chemical Identifiers
| CAS Number | 836645-32-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NC(=N2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl)N |
Product Overview
2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione (CAS 836645-32-0), with molecular formula C16H7Cl4N5O2 and molecular weight 440.94 g/mol. IUPAC: 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione.
Chemical Property Profile of 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione
Property Insights of 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione
The XLogP value of 4.2637 indicates that 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione 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 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione?
The CAS number of 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione is 836645-32-0.
What is the molecular formula of 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione?
The molecular formula of 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione is C16H7Cl4N5O2.
What is the molecular weight of 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione?
The molecular weight of 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione is 440.94 g/mol.
Where can I buy 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione?
You can request a quote for 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrachloroisoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.