2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
TL;DR: 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile (CAS 163978-37-8) is a chemical compound with molecular formula C17H14N4S and molecular weight 306.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-thiophen-2-yl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: TimTec1_001598, BAS 00673118, 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile, 2-amino-4-(2-thienyl)-3,4,5,6,7,4a-hexahydronaphthalene-1,3,3-tricarbonitrile, 2-AMINO-3,3-DICYANO-4-(2-THIENYL)-4A,5,6,7-TETRAHYDRO-1(4H)-NAPHTHALENYL CYANIDE
Technical Specifications
| Molecular Formula | C17H14N4S |
| Molecular Weight | 306.0939 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.0939 Da |
| Heavy Atoms | 22 |
| Complexity | 689.0 |
| SMILES | C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3 |
| InChIKey | ILUYWILPSKYJNL-UHFFFAOYSA-N |
Chemical Property Profile of 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
Property Insights of 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(2-thienyl)-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
What is the CAS number of 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The CAS number of 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is 163978-37-8.
What is the molecular formula of 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The molecular formula of 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is C17H14N4S.
What is the molecular weight of 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
The molecular weight of 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile is 306.0939 g/mol.
Where can I buy 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
You can request a quote for 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-amino-4-(2-thienyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.