(4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile
TL;DR: (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile (CAS 5105-93-1) is a chemical compound with molecular formula C14H16N4 and molecular weight 240.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile
Also Known As: BAS 01052815, (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile, BRD-A15414351-001-01-6, 2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile, (E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile
| Molecular Formula | C14H16N4 |
|---|---|
| Molecular Weight | 240.14 g/mol |
| LogP | 2.52264 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.1375 |
| Heavy Atoms | 18 |
| Complexity | 533.8137 |
Chemical Identifiers
| CAS Number | 5105-93-1 |
|---|---|
| SMILES | CCC1(C/C(=C\C)/C(=C(C1(C#N)C#N)N)C#N)C |
Product Overview
(4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile (CAS 5105-93-1), with molecular formula C14H16N4 and molecular weight 240.14 g/mol. IUPAC: (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile.
Chemical Property Profile of (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile
Property Insights of (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile
The XLogP value of 2.52264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile. Following Lipinski's Rule of Five, (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile 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 (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile?
The CAS number of (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile is 5105-93-1.
What is the molecular formula of (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile?
The molecular formula of (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile is C14H16N4.
What is the molecular weight of (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile?
The molecular weight of (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile is 240.14 g/mol.
Where can I buy (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile?
You can request a quote for (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-amino-6-ethyl-4-ethylidene-6-methylcyclohex-2-ene-1,1,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.