4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile
TL;DR: 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile (CAS 127581-23-1) is a chemical compound with molecular formula C14H13N3 and molecular weight 223.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-phenylcyclohex-3-ene-1,3-dicarbonitrile
Also Known As: 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile, 4-amino-1-phenyl-cyclohex-3-ene-1,3-dicarbonitrile, 4-amino-1-phenylcyclohex-3-ene-1,3-dicarbonitrile, 653-725-5
Technical Specifications
| Molecular Formula | C14H13N3 |
| Molecular Weight | 223.11095 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.11095 Da |
| Heavy Atoms | 17 |
| Complexity | 425.0 |
| SMILES | C1CC(CC(=C1N)C#N)(C#N)C2=CC=CC=C2 |
| InChIKey | VSISRXTWVKPZMI-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile
Property Insights of 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile. Following Lipinski's Rule of Five, 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile 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
What is the CAS number of 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile?
The CAS number of 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile is 127581-23-1.
What is the molecular formula of 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile?
The molecular formula of 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile is C14H13N3.
What is the molecular weight of 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile?
The molecular weight of 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile is 223.11095 g/mol.
Where can I buy 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile?
You can request a quote for 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Amino-1-phenyl-3-cyclohexene-1,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.