2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile
TL;DR: 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile (CAS 160245-86-3) is a chemical compound with molecular formula C19H16N4 and molecular weight 300.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS)-2-amino-4-phenyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: ChemDiv1_027284, BAS 00295811, A0167/0007512, (4R,4aS)-2-amino-4-phenyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile, (4R,4aS)-2-amino-4-phenyl-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
| Molecular Formula | C19H16N4 |
|---|---|
| Molecular Weight | 300.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.13748 |
| Heavy Atoms | 23 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 160245-86-3 |
|---|---|
| SMILES | C1CC=C2[C@@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3 |
| InChIKey | GLTPZAGLCSGAKP-WBVHZDCISA-N |
Product Overview
2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile (CAS 160245-86-3), with molecular formula C19H16N4 and molecular weight 300.14 g/mol. IUPAC: (4R,4aS)-2-amino-4-phenyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile
Property Insights of 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-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-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile?
The CAS number of 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile is 160245-86-3.
What is the molecular formula of 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile?
The molecular formula of 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile is C19H16N4.
What is the molecular weight of 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile?
The molecular weight of 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile is 300.14 g/mol.
Where can I buy 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile?
You can request a quote for 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-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-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-phenyl-3,4,4A,5,6,7-hexahydronaphthalene-1,3,3-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.