2-(Anilinomethylene)malononitrile
TL;DR: 2-(Anilinomethylene)malononitrile (CAS 1202-48-8) is a chemical compound with molecular formula C10H7N3 and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(anilinomethylidene)propanedinitrile
Also Known As: 2-(anilinomethylene)malononitrile, 2-[(phenylamino)methylidene]propanedinitrile, 2-(anilinomethylidene)propanedinitrile, (anilinomethylene)-malononitrile, (anilinomethylidene)malononitrile
| Molecular Formula | C10H7N3 |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.064 |
| Heavy Atoms | 13 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 1202-48-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC=C(C#N)C#N |
| InChIKey | JZXXIAZJSDBFPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Anilinomethylene)malononitrile (CAS 1202-48-8), with molecular formula C10H7N3 and molecular weight 169.06 g/mol. IUPAC: 2-(anilinomethylidene)propanedinitrile.
Chemical Property Profile of 2-(Anilinomethylene)malononitrile
Property Insights of 2-(Anilinomethylene)malononitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Anilinomethylene)malononitrile. With a topological polar surface area (TPSA) of 59.6 Ų, 2-(Anilinomethylene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Anilinomethylene)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-(Anilinomethylene)malononitrile?
The CAS number of 2-(Anilinomethylene)malononitrile is 1202-48-8.
What is the molecular formula of 2-(Anilinomethylene)malononitrile?
The molecular formula of 2-(Anilinomethylene)malononitrile is C10H7N3.
What is the molecular weight of 2-(Anilinomethylene)malononitrile?
The molecular weight of 2-(Anilinomethylene)malononitrile is 169.06 g/mol.
Where can I buy 2-(Anilinomethylene)malononitrile?
You can request a quote for 2-(Anilinomethylene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Anilinomethylene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Anilinomethylene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.