1-Propene-1,1,3,3-tetracarbonitrile
TL;DR: 1-Propene-1,1,3,3-tetracarbonitrile (CAS 41287-18-7) is a chemical compound with molecular formula C7H2N4 and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-1-ene-1,1,3,3-tetracarbonitrile
Also Known As: prop-1-ene-1,1,3,3-tetracarbonitrile, 1-Propene-1,1,3,3-tetracarbonitrile, 1,1,3,3-Tetracyan-2-propen, propene-1,1,3,3-tetracarbonitrile, RefChem:235045
| Molecular Formula | C7H2N4 |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.02794 |
| Heavy Atoms | 11 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 41287-18-7 |
|---|---|
| SMILES | C(=C(C#N)C#N)C(C#N)C#N |
| InChIKey | KPQNHJKRZKOLGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propene-1,1,3,3-tetracarbonitrile (CAS 41287-18-7), with molecular formula C7H2N4 and molecular weight 142.03 g/mol. IUPAC: prop-1-ene-1,1,3,3-tetracarbonitrile.
Chemical Property Profile of 1-Propene-1,1,3,3-tetracarbonitrile
Property Insights of 1-Propene-1,1,3,3-tetracarbonitrile
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propene-1,1,3,3-tetracarbonitrile. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propene-1,1,3,3-tetracarbonitrile. Following Lipinski's Rule of Five, 1-Propene-1,1,3,3-tetracarbonitrile has 0 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 1-Propene-1,1,3,3-tetracarbonitrile?
The CAS number of 1-Propene-1,1,3,3-tetracarbonitrile is 41287-18-7.
What is the molecular formula of 1-Propene-1,1,3,3-tetracarbonitrile?
The molecular formula of 1-Propene-1,1,3,3-tetracarbonitrile is C7H2N4.
What is the molecular weight of 1-Propene-1,1,3,3-tetracarbonitrile?
The molecular weight of 1-Propene-1,1,3,3-tetracarbonitrile is 142.03 g/mol.
Where can I buy 1-Propene-1,1,3,3-tetracarbonitrile?
You can request a quote for 1-Propene-1,1,3,3-tetracarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propene-1,1,3,3-tetracarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Propene-1,1,3,3-tetracarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.