BAS 13776366
TL;DR: BAS 13776366 (CAS 1027328-73-9) is a chemical compound with molecular formula C18H17N5S and molecular weight 335.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-bicyclo[2.2.1]hept-5-enyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: BAS 13776366, 4-(5-bicyclo[2.2.1]hept-2-enyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, 4-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(bicyclo[2.2.1]hept-5-en-2-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-BICYCLO[2.2.1]HEPT-5-EN-2-YL-5-(3-PHENYL-1H-PYRAZOL-5-YL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
Technical Specifications
| Molecular Formula | C18H17N5S |
| Molecular Weight | 335.12045 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.12045 Da |
| Heavy Atoms | 24 |
| Complexity | 582.0 |
| SMILES | C1C2CC(C1C=C2)N3C(=NNC3=S)C4=CC(=NN4)C5=CC=CC=C5 |
| InChIKey | VGUSQKGHICJEFT-UHFFFAOYSA-N |
Chemical Property Profile of BAS 13776366
Property Insights of BAS 13776366
The XLogP value of 3.2 indicates that BAS 13776366 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13776366. Following Lipinski's Rule of Five, BAS 13776366 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 13776366?
The CAS number of BAS 13776366 is 1027328-73-9.
What is the molecular formula of BAS 13776366?
The molecular formula of BAS 13776366 is C18H17N5S.
What is the molecular weight of BAS 13776366?
The molecular weight of BAS 13776366 is 335.12045 g/mol.
Where can I buy BAS 13776366?
You can request a quote for BAS 13776366 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 13776366?
Yes, CoreyChem provides custom synthesis services for BAS 13776366 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.