Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-
TL;DR: Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)- (CAS 6687-82-7) is a chemical compound with molecular formula C13H11N3 and molecular weight 209.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedinitrile
Also Known As: ((3,4-Dihydro-2(1H)-isoquinolyl)methylene)malononitrile, MALONONITRILE, ((3,4-DIHYDRO-2(1H)-ISOQUINOLYL)METHYLENE)-, 2-((3,4-dihydroisoquinolin-2(1H)-yl)methylene)malononitrile, [(3,4-Dihydroisoquinolin-2 methylene]malononitrile, Propanedinitrile, ((3,4-dihydro-2(1H)-isoquinolinyl)methylene)-
| Molecular Formula | C13H11N3 |
|---|---|
| Molecular Weight | 209.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.09529 |
| Heavy Atoms | 16 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 6687-82-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C=C(C#N)C#N |
| InChIKey | XWXNAUJZOYZIRK-UHFFFAOYSA-N |
Product Overview
Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)- (CAS 6687-82-7), with molecular formula C13H11N3 and molecular weight 209.10 g/mol. IUPAC: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedinitrile.
Chemical Property Profile of Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-
Property Insights of Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-. With a topological polar surface area (TPSA) of 50.8 Ų, Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)- 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 Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-?
The CAS number of Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)- is 6687-82-7.
What is the molecular formula of Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-?
The molecular formula of Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)- is C13H11N3.
What is the molecular weight of Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-?
The molecular weight of Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)- is 209.10 g/mol.
Where can I buy Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-?
You can request a quote for Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-?
Yes, KEHONG BIO provides custom synthesis services for Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.