![2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile structure](/static/products/1164/1164525-41-0.webp)
2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile
TL;DR: 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile (CAS 1164525-41-0) is a chemical compound with molecular formula C15H15N3O and molecular weight 253.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,4-dimethylanilino)-1-methoxyprop-2-enylidene]propanedinitrile
Also Known As: 2-[3-(3,4-dimethylanilino)-1-methoxy-2-propenylidene]malononitrile, 2-{3-[(3,4-dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile, 2-[3-(3,4-dimethylanilino)-1-methoxyprop-2-enylidene]propanedinitrile
| Molecular Formula | C15H15N3O |
|---|---|
| Molecular Weight | 253.12 g/mol |
| LogP | 3.1767 |
| Topological Polar Surface Area | 68.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.1215 |
| Heavy Atoms | 19 |
| Complexity | 584.7972 |
Chemical Identifiers
| CAS Number | 1164525-41-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC=CC(=C(C#N)C#N)OC)C |
Product Overview
2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile (CAS 1164525-41-0), with molecular formula C15H15N3O and molecular weight 253.12 g/mol. IUPAC: 2-[3-(3,4-dimethylanilino)-1-methoxyprop-2-enylidene]propanedinitrile.
Chemical Property Profile of 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile
Property Insights of 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile
The XLogP value of 3.1767 indicates that 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile. Following Lipinski's Rule of Five, 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-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-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile?
The CAS number of 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile is 1164525-41-0.
What is the molecular formula of 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile?
The molecular formula of 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile is C15H15N3O.
What is the molecular weight of 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile?
The molecular weight of 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile is 253.12 g/mol.
Where can I buy 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile?
You can request a quote for 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-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-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{3-[(3,4-Dimethylphenyl)amino]-1-methoxyprop-2-en-1-ylidene}propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.