2-(pentylmethylene)malononitrile
TL;DR: 2-(pentylmethylene)malononitrile (CAS 164410-73-5) is a chemical compound with molecular formula C22H20N2O2 and molecular weight 344.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-7,7-dimethyl-4-naphthalen-1-yl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: 2-(pentylmethylene)malononitrile, 2-amino-7,7-dimethyl-4-(1-naphthyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, BAS 00667180, J2.631.517D, 2-amino-7,7-dimethyl-4-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Technical Specifications
| Molecular Formula | C22H20N2O2 |
| Molecular Weight | 344.15247 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.15247 Da |
| Heavy Atoms | 26 |
| Complexity | 736.0 |
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC4=CC=CC=C43)C(=O)C1)C |
| InChIKey | QCGHSHZXEYSVDT-UHFFFAOYSA-N |
Chemical Property Profile of 2-(pentylmethylene)malononitrile
Property Insights of 2-(pentylmethylene)malononitrile
The XLogP value of 4.1 indicates that 2-(pentylmethylene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(pentylmethylene)malononitrile. Following Lipinski's Rule of Five, 2-(pentylmethylene)malononitrile 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
What is the CAS number of 2-(pentylmethylene)malononitrile?
The CAS number of 2-(pentylmethylene)malononitrile is 164410-73-5.
What is the molecular formula of 2-(pentylmethylene)malononitrile?
The molecular formula of 2-(pentylmethylene)malononitrile is C22H20N2O2.
What is the molecular weight of 2-(pentylmethylene)malononitrile?
The molecular weight of 2-(pentylmethylene)malononitrile is 344.15247 g/mol.
Where can I buy 2-(pentylmethylene)malononitrile?
You can request a quote for 2-(pentylmethylene)malononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(pentylmethylene)malononitrile?
Yes, CoreyChem provides custom synthesis services for 2-(pentylmethylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.