2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
TL;DR: 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile (CAS 77198-63-1) is a chemical compound with molecular formula C18H14FN3 and molecular weight 291.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
Also Known As: J2.667.641J, 2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile, 6-Amino-8-(4-fluorophenyl)tetralin-5,7-dicarbonitrile, 2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydro-1,3-naphthalenedicarbonitrile
| Molecular Formula | C18H14FN3 |
|---|---|
| Molecular Weight | 291.12 g/mol |
| LogP | 3.69706 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.1172 |
| Heavy Atoms | 22 |
| Complexity | 823.6266 |
Chemical Identifiers
| CAS Number | 77198-63-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=C2C3=CC=C(C=C3)F)C#N)N)C#N |
Product Overview
2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile (CAS 77198-63-1), with molecular formula C18H14FN3 and molecular weight 291.12 g/mol. IUPAC: 2-amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile.
Chemical Property Profile of 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
Property Insights of 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
The XLogP value of 3.69706 indicates that 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile. Following Lipinski's Rule of Five, 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-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
Frequently Asked Questions
What is the CAS number of 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The CAS number of 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is 77198-63-1.
What is the molecular formula of 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The molecular formula of 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is C18H14FN3.
What is the molecular weight of 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The molecular weight of 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is 291.12 g/mol.
Where can I buy 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
You can request a quote for 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile 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)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-(4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.