methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
TL;DR: methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate (CAS 17859-63-1) is a chemical compound with molecular formula C11H5Cl4NO4 and molecular weight 354.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate
Also Known As: N,N-(tetrachloro-phthaloyl)-glycine methyl ester, methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate, methyl 2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate, methyl 2-(4,5,6,7-tetrachloro-1,3-dioxobenzo[c]azolin-2-yl)acetate
| Molecular Formula | C11H5Cl4NO4 |
|---|---|
| Molecular Weight | 354.90 g/mol |
| LogP | 3.0692 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.89728 |
| Heavy Atoms | 20 |
| Complexity | 611.5586 |
Chemical Identifiers
| CAS Number | 17859-63-1 |
|---|---|
| SMILES | COC(=O)CN1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl |
Product Overview
methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate (CAS 17859-63-1), with molecular formula C11H5Cl4NO4 and molecular weight 354.90 g/mol. IUPAC: methyl 2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Property Insights of methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
The XLogP value of 3.0692 indicates that methyl (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 methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate. Following Lipinski's Rule of Five, methyl (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 methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The CAS number of methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is 17859-63-1.
What is the molecular formula of methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The molecular formula of methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is C11H5Cl4NO4.
What is the molecular weight of methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The molecular weight of methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is 354.90 g/mol.
Where can I buy methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
You can request a quote for methyl (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 methyl (4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (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.