2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile
TL;DR: 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile (CAS 69540-56-3) is a chemical compound with molecular formula C11H7N3 and molecular weight 181.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dihydroisoindol-1-ylidene)propanedinitrile
Also Known As: AE-848/07789012, Propanedinitrile, 2-(2,3-dihydro-1H-isoindol-1-ylidene)-, 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile, 2-(2,3-dihydro-1H-isoindol-1-ylidene)propanedinitrile
| Molecular Formula | C11H7N3 |
|---|---|
| Molecular Weight | 181.06 g/mol |
| LogP | 1.54806 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.064 |
| Heavy Atoms | 14 |
| Complexity | 469.9895 |
Chemical Identifiers
| CAS Number | 69540-56-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2C(=C(C#N)C#N)N1 |
Product Overview
2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile (CAS 69540-56-3), with molecular formula C11H7N3 and molecular weight 181.06 g/mol. IUPAC: 2-(2,3-dihydroisoindol-1-ylidene)propanedinitrile.
Chemical Property Profile of 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile
Property Insights of 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile
The XLogP value of 1.54806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile. With a topological polar surface area (TPSA) of 59.61 Ų, 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile has 1 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 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile?
The CAS number of 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile is 69540-56-3.
What is the molecular formula of 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile?
The molecular formula of 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile is C11H7N3.
What is the molecular weight of 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile?
The molecular weight of 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile is 181.06 g/mol.
Where can I buy 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile?
You can request a quote for 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-dihydro-1H-isoindol-1-ylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.