3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
TL;DR: 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid (CAS 69874-70-0) 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.
3-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoic acid
Also Known As: J1.562.120F, L(+)-2-(tetrachlorophtalimido)propionic acid, 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid, A1985/0083437, 3-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoic acid
| Molecular Formula | C11H5Cl4NO4 |
|---|---|
| Molecular Weight | 354.90 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.89728 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 69874-70-0 |
|---|---|
| SMILES | C(CN1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | KSJTXWUPXJUJQM-UHFFFAOYSA-N |
Product Overview
3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid (CAS 69874-70-0), with molecular formula C11H5Cl4NO4 and molecular weight 354.90 g/mol. IUPAC: 3-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)propanoic acid.
Chemical Property Profile of 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
Property Insights of 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid has 1 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 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
The CAS number of 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid is 69874-70-0.
What is the molecular formula of 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
The molecular formula of 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid is C11H5Cl4NO4.
What is the molecular weight of 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
The molecular weight of 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid is 354.90 g/mol.
Where can I buy 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
You can request a quote for 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,5,6,7-Tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.