![2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile structure](/static/products/3391/339101-96-1.webp)
2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile
TL;DR: 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile (CAS 339101-96-1) is a chemical compound with molecular formula C15H15ClN4 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3-chloro-2-methylanilino)-1-(dimethylamino)prop-2-enylidene]propanedinitrile
Also Known As: 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile, 2-[3-(3-chloro-2-methylanilino)-1-(dimethylamino)-2-propenylidene]malononitrile, 2-[3-(3-chloro-2-methylanilino)-1-(dimethylamino)prop-2-enylidene]propanedinitrile
| Molecular Formula | C15H15ClN4 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 3.43688 |
| Topological Polar Surface Area | 62.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.0985 |
| Heavy Atoms | 20 |
| Complexity | 614.2541 |
Chemical Identifiers
| CAS Number | 339101-96-1 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC=CC(=C(C#N)C#N)N(C)C |
Product Overview
2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile (CAS 339101-96-1), with molecular formula C15H15ClN4 and molecular weight 286.10 g/mol. IUPAC: 2-[3-(3-chloro-2-methylanilino)-1-(dimethylamino)prop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile
Property Insights of 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile
The XLogP value of 3.43688 indicates that 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile. Following Lipinski's Rule of Five, 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile 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
Frequently Asked Questions
What is the CAS number of 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile?
The CAS number of 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile is 339101-96-1.
What is the molecular formula of 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile?
The molecular formula of 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile is C15H15ClN4.
What is the molecular weight of 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile?
The molecular weight of 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile is 286.10 g/mol.
Where can I buy 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile?
You can request a quote for 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[(3-chloro-2-methylphenyl)amino]-1-(dimethylamino)prop-2-en-1-ylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.