2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile
TL;DR: 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile (CAS 307339-62-4) is a chemical compound with molecular formula C12H12N4 and molecular weight 212.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,6,6-trimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile
Also Known As: NCIOpen2_006459, 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile, 2-amino-4,6,6-trimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile, J1.642.478A, 2-amino-4,4,6-trimethylcyclohexa-1,5-diene-1,3,3-tricarbonitrile
| Molecular Formula | C12H12N4 |
|---|---|
| Molecular Weight | 212.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.1062 |
| Heavy Atoms | 16 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 307339-62-4 |
|---|---|
| SMILES | CC1=CC(C(C(=C1C#N)N)(C#N)C#N)(C)C |
| InChIKey | OTYOEOKUIGHOGA-UHFFFAOYSA-N |
Product Overview
2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile (CAS 307339-62-4), with molecular formula C12H12N4 and molecular weight 212.11 g/mol. IUPAC: 2-amino-4,6,6-trimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile.
Chemical Property Profile of 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile
Property Insights of 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-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 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile?
The CAS number of 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile is 307339-62-4.
What is the molecular formula of 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile?
The molecular formula of 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile is C12H12N4.
What is the molecular weight of 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile?
The molecular weight of 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile is 212.11 g/mol.
Where can I buy 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile?
You can request a quote for 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-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 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4,6,6-trimethyl-2,4-cyclohexadiene-1,1,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.