![4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione structure](/static/products/6944/694456-25-2.webp)
4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione
TL;DR: 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione (CAS 694456-25-2) is a chemical compound with molecular formula C17H8Cl4N4O3 and molecular weight 455.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione
Also Known As: 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione, 4,5,6,7-tetrachloro-2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C17H8Cl4N4O3 |
|---|---|
| Molecular Weight | 455.94 g/mol |
| LogP | 4.8945 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.93506 |
| Heavy Atoms | 28 |
| Complexity | 1097.2946 |
Chemical Identifiers
| CAS Number | 694456-25-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NN2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl |
Product Overview
4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione (CAS 694456-25-2), with molecular formula C17H8Cl4N4O3 and molecular weight 455.94 g/mol. IUPAC: 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione.
Chemical Property Profile of 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione
Property Insights of 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione
The XLogP value of 4.8945 indicates that 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione. Following Lipinski's Rule of Five, 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-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 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione?
The CAS number of 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione is 694456-25-2.
What is the molecular formula of 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione?
The molecular formula of 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione is C17H8Cl4N4O3.
What is the molecular weight of 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione?
The molecular weight of 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione is 455.94 g/mol.
Where can I buy 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione?
You can request a quote for 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-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 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5,6,7-tetrachloro-2-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.