(2,4-Dimethylbenzylidene)propanedinitrile
TL;DR: (2,4-Dimethylbenzylidene)propanedinitrile (CAS 75076-12-9) is a chemical compound with molecular formula C12H10N2 and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-dimethylphenyl)methylidene]propanedinitrile
Also Known As: (2,4-dimethylbenzylidene)propanedinitrile, 2-[(2,4-dimethylphenyl)methylidene]propanedinitrile, (2,4-Dimethylbenzylidene)malononitrile, 2-(2,4-dimethylbenzylidene)malononitrile, 2-(2,4-Dimethylbenzylidene)propanedinitrile
| Molecular Formula | C12H10N2 |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.0844 |
| Heavy Atoms | 14 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 75076-12-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C=C(C#N)C#N)C |
| InChIKey | OCKQQTWVONOSPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,4-Dimethylbenzylidene)propanedinitrile (CAS 75076-12-9), with molecular formula C12H10N2 and molecular weight 182.08 g/mol. IUPAC: 2-[(2,4-dimethylphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (2,4-Dimethylbenzylidene)propanedinitrile
Property Insights of (2,4-Dimethylbenzylidene)propanedinitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-Dimethylbenzylidene)propanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, (2,4-Dimethylbenzylidene)propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-Dimethylbenzylidene)propanedinitrile has 0 hydrogen bond donor(s) and 2 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 (2,4-Dimethylbenzylidene)propanedinitrile?
The CAS number of (2,4-Dimethylbenzylidene)propanedinitrile is 75076-12-9.
What is the molecular formula of (2,4-Dimethylbenzylidene)propanedinitrile?
The molecular formula of (2,4-Dimethylbenzylidene)propanedinitrile is C12H10N2.
What is the molecular weight of (2,4-Dimethylbenzylidene)propanedinitrile?
The molecular weight of (2,4-Dimethylbenzylidene)propanedinitrile is 182.08 g/mol.
Where can I buy (2,4-Dimethylbenzylidene)propanedinitrile?
You can request a quote for (2,4-Dimethylbenzylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Dimethylbenzylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dimethylbenzylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.