(E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile
TL;DR: (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile (CAS 325730-00-5) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-enylidene]propanedinitrile
Also Known As: (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile, F0729-0026, AS-871/40352329, 2-[(2E)-1-CYCLOPROPYL-3-(THIOPHEN-2-YL)PROP-2-EN-1-YLIDENE]PROPANEDINITRILE, 2-[(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-enylidene]propanedinitrile
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 3.51506 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 489.11777 |
Chemical Identifiers
| CAS Number | 325730-00-5 |
|---|---|
| SMILES | C1CC1C(=C(C#N)C#N)/C=C/C2=CC=CS2 |
Product Overview
(E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile (CAS 325730-00-5), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: 2-[(E)-1-cyclopropyl-3-thiophen-2-ylprop-2-enylidene]propanedinitrile.
Chemical Property Profile of (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile
Property Insights of (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile
The XLogP value of 3.51506 indicates that (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.58 Ų, (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile has 0 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 (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile?
The CAS number of (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile is 325730-00-5.
What is the molecular formula of (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile?
The molecular formula of (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile is C13H10N2S.
What is the molecular weight of (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile?
The molecular weight of (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile is 226.06 g/mol.
Where can I buy (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile?
You can request a quote for (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(1-cyclopropyl-3-(thiophen-2-yl)allylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.