2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
TL;DR: 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione (CAS 5136-50-5) is a chemical compound with molecular formula C16H7Cl4NO3 and molecular weight 400.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetylphenyl)-4,5,6,7-tetrachloroisoindole-1,3-dione
Also Known As: BIM-0009205.P001, 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione, 2-(4-acetylphenyl)-4,5,6,7-tetrachloroisoindole-1,3-dione
| Molecular Formula | C16H7Cl4NO3 |
|---|---|
| Molecular Weight | 400.92 g/mol |
| LogP | 5.3034 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.918 |
| Heavy Atoms | 24 |
| Complexity | 875.15515 |
Chemical Identifiers
| CAS Number | 5136-50-5 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl |
Product Overview
2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione (CAS 5136-50-5), with molecular formula C16H7Cl4NO3 and molecular weight 400.92 g/mol. IUPAC: 2-(4-acetylphenyl)-4,5,6,7-tetrachloroisoindole-1,3-dione.
Chemical Property Profile of 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
Property Insights of 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione
The XLogP value of 5.3034 indicates that 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.45 Ų, 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione is 5136-50-5.
What is the molecular formula of 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione is C16H7Cl4NO3.
What is the molecular weight of 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione is 400.92 g/mol.
Where can I buy 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-acetylphenyl)-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.