isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
TL;DR: isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate (CAS 175658-35-2) is a chemical compound with molecular formula C13H9Cl4NO4 and molecular weight 382.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate
Also Known As: isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate, propan-2-yl 2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate, propan-2-yl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
| Molecular Formula | C13H9Cl4NO4 |
|---|---|
| Molecular Weight | 382.93 g/mol |
| LogP | 3.8478 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.92856 |
| Heavy Atoms | 22 |
| Complexity | 655.01587 |
Chemical Identifiers
| CAS Number | 175658-35-2 |
|---|---|
| SMILES | CC(C)OC(=O)CN1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl |
Product Overview
isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate (CAS 175658-35-2), with molecular formula C13H9Cl4NO4 and molecular weight 382.93 g/mol. IUPAC: propan-2-yl 2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Property Insights of isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
The XLogP value of 3.8478 indicates that isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate. Following Lipinski's Rule of Five, isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate has 0 hydrogen bond donor(s) and 4 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 isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The CAS number of isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is 175658-35-2.
What is the molecular formula of isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The molecular formula of isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is C13H9Cl4NO4.
What is the molecular weight of isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The molecular weight of isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is 382.93 g/mol.
Where can I buy isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
You can request a quote for isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.