2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
TL;DR: 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile (CAS 77198-44-8) is a chemical compound with molecular formula C19H15FN4 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile, 2-amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile, A0403/0018578, 2-amino-4-(4-fluorophenyl)-3,4,5,6,7,4a-hexahydronaphthalene-1,3,3-tricarbonit rile, 1,3,3(4h)-naphthalenetricarbonitrile, 2-amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-
| Molecular Formula | C19H15FN4 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.12808 |
| Heavy Atoms | 24 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 77198-44-8 |
|---|---|
| SMILES | C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F |
| InChIKey | WZTQQKVOIGWANE-UHFFFAOYSA-N |
Product Overview
2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile (CAS 77198-44-8), with molecular formula C19H15FN4 and molecular weight 318.13 g/mol. IUPAC: 2-amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
Property Insights of 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile has 1 hydrogen bond donor(s) and 5 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-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The CAS number of 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is 77198-44-8.
What is the molecular formula of 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The molecular formula of 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is C19H15FN4.
What is the molecular weight of 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The molecular weight of 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is 318.13 g/mol.
Where can I buy 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
You can request a quote for 2-Amino-4-(4-fluorophenyl)-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-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(4-fluorophenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.