5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile
TL;DR: 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile (CAS 897282-09-6) is a chemical compound with molecular formula C11H6Cl2N2O2 and molecular weight 267.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanenitrile
Also Known As: 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile, 3-(5,6-Dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanenitrile
| Molecular Formula | C11H6Cl2N2O2 |
|---|---|
| Molecular Weight | 267.98 g/mol |
| LogP | 2.50308 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.98062 |
| Heavy Atoms | 17 |
| Complexity | 522.32526 |
Chemical Identifiers
| CAS Number | 897282-09-6 |
|---|---|
| SMILES | C1=C2C(=CC(=C1Cl)Cl)C(=O)N(C2=O)CCC#N |
Product Overview
5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile (CAS 897282-09-6), with molecular formula C11H6Cl2N2O2 and molecular weight 267.98 g/mol. IUPAC: 3-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanenitrile.
Chemical Property Profile of 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile
Property Insights of 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile
The XLogP value of 2.50308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile. Following Lipinski's Rule of Five, 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile has 0 hydrogen bond donor(s) and 3 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 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile?
The CAS number of 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile is 897282-09-6.
What is the molecular formula of 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile?
The molecular formula of 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile is C11H6Cl2N2O2.
What is the molecular weight of 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile?
The molecular weight of 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile is 267.98 g/mol.
Where can I buy 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile?
You can request a quote for 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dichloro-1,3-dihydro-1,3-dioxo-2H-isoindole-2-propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.