(((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile
TL;DR: (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile (CAS 67769-57-7) is a chemical compound with molecular formula C11H8ClN3 and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-methylanilino)methylidene]propanedinitrile
Also Known As: (((2-CHLORO-6-METHYLPHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[(2-chloro-6-methylanilino)methylidene]propanedinitrile, 2-[(2-chloro-6-methyl-anilino)methylene]propanedinitrile, 2-{[(2-chloro-6-methylphenyl)amino]methylidene}propanedinitrile, Propanedinitrile, [[(2-chloro-6-methylphenyl)amino]methylene]-
| Molecular Formula | C11H8ClN3 |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 2.99138 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.04068 |
| Heavy Atoms | 15 |
| Complexity | 441.33688 |
Chemical Identifiers
| CAS Number | 67769-57-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC=C(C#N)C#N |
Product Overview
(((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile (CAS 67769-57-7), with molecular formula C11H8ClN3 and molecular weight 217.04 g/mol. IUPAC: 2-[(2-chloro-6-methylanilino)methylidene]propanedinitrile.
Chemical Property Profile of (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile
Property Insights of (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile
The XLogP value of 2.99138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile. With a topological polar surface area (TPSA) of 59.61 Ų, (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile 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-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile?
The CAS number of (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile is 67769-57-7.
What is the molecular formula of (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular formula of (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile is C11H8ClN3.
What is the molecular weight of (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile?
The molecular weight of (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile is 217.04 g/mol.
Where can I buy (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile?
You can request a quote for (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (((2-Chloro-6-methylphenyl)amino)methylene)methane-1,1-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.