2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
TL;DR: 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile (CAS 327059-28-9) is a chemical compound with molecular formula C22H22N4 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2,4,6-trimethylphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile, 2-amino-4-(2,4,6-trimethylphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile, 2-amino-4-(2,4,6-trimethylphenyl)-3,4,5,6,7,4a-hexahydronaphthalene-1,3,3-tric arbonitrile, 2-amino-4-(2,4,6-trimethylphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
| Molecular Formula | C22H22N4 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 4.2055 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.18445 |
| Heavy Atoms | 26 |
| Complexity | 922.3222 |
Chemical Identifiers
| CAS Number | 327059-28-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)C |
Product Overview
2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile (CAS 327059-28-9), with molecular formula C22H22N4 and molecular weight 342.18 g/mol. IUPAC: 2-amino-4-(2,4,6-trimethylphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
Property Insights of 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
The XLogP value of 4.2055 indicates that 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile 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-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The CAS number of 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is 327059-28-9.
What is the molecular formula of 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The molecular formula of 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is C22H22N4.
What is the molecular weight of 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The molecular weight of 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is 342.18 g/mol.
Where can I buy 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
You can request a quote for 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile 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-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-mesityl-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.