4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid
TL;DR: 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid (CAS 87896-33-1) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.1212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylic acid
Also Known As: 2,3,4,5-Tetrahydro-4-phenyl-1H-1,5-benzodiazepine-2-carboxylic acid, 1H-1,5-BENZODIAZEPINE-2-CARBOXYLIC ACID, 2,3,4,5-TETRAHYDRO-4-PHENYL-, 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid, 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylic acid
Technical Specifications
| Molecular Formula | C16H16N2O2 |
| Molecular Weight | 268.1212 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.1212 Da |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
| SMILES | C1C(NC2=CC=CC=C2NC1C(=O)O)C3=CC=CC=C3 |
| InChIKey | JYZRQQSGHSJTTK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid
Property Insights of 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid
The XLogP value of 3.2 indicates that 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid. Following Lipinski's Rule of Five, 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid has 3 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-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid?
The CAS number of 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid is 87896-33-1.
What is the molecular formula of 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid?
The molecular formula of 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid is C16H16N2O2.
What is the molecular weight of 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid?
The molecular weight of 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid is 268.1212 g/mol.
Where can I buy 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid?
You can request a quote for 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-Phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.