3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile
TL;DR: 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile (CAS 303995-14-4) is a chemical compound with molecular formula C15H14N2S and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-dimethylanilino)-2-thiophen-2-ylprop-2-enenitrile
Also Known As: 3-(3,4-dimethylanilino)-2-(2-thienyl)acrylonitrile, (2E)-3-[(3,4-dimethylphenyl)amino]-2-(thiophen-2-yl)prop-2-enenitrile, (E)-3-(3,4-dimethylanilino)-2-thiophen-2-ylprop-2-enenitrile, 12B-012, (E)-3-(3,4-dimethylanilino)-2-(2-thienyl)prop-2-enenitrile
| Molecular Formula | C15H14N2S |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 4.34152 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.08777 |
| Heavy Atoms | 18 |
| Complexity | 603.919 |
Chemical Identifiers
| CAS Number | 303995-14-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N/C=C(\C#N)/C2=CC=CS2)C |
Product Overview
3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile (CAS 303995-14-4), with molecular formula C15H14N2S and molecular weight 254.09 g/mol. IUPAC: (E)-3-(3,4-dimethylanilino)-2-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile
Property Insights of 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile
The XLogP value of 4.34152 indicates that 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile 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 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile?
The CAS number of 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile is 303995-14-4.
What is the molecular formula of 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile?
The molecular formula of 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile is C15H14N2S.
What is the molecular weight of 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile?
The molecular weight of 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile is 254.09 g/mol.
Where can I buy 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile?
You can request a quote for 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethylanilino)-2-(2-thienyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.