4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide
TL;DR: 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide (CAS 63931-90-8) is a chemical compound with molecular formula C15H12N4O2 and molecular weight 280.09604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide
Also Known As: 9-(4-anthracen-9-ylbutyl)anthracene, 1H-1,2,4-Benzotriazepine-3-carboxamide, 4,5-dihydro-5-oxo-4-phenyl-, 5-26-07-00292 (Beilstein Handbook Reference), 9-(anthracen-9-ylmethoxymethyl)anthracene, NCI60_002630
Technical Specifications
| Molecular Formula | C15H12N4O2 |
| Molecular Weight | 280.09604 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 87.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.09604 Da |
| Heavy Atoms | 21 |
| Complexity | 457.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NN=C2C(=O)N |
| InChIKey | SYLXSYKPLOSTDX-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide
Property Insights of 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide. Following Lipinski's Rule of Five, 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide?
The CAS number of 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide is 63931-90-8.
What is the molecular formula of 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide?
The molecular formula of 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide is C15H12N4O2.
What is the molecular weight of 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide?
The molecular weight of 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide is 280.09604 g/mol.
Where can I buy 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide?
You can request a quote for 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide?
Yes, CoreyChem provides custom synthesis services for 4,5-Dihydro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.