2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid
TL;DR: 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid (CAS 1020249-95-9) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenyl-1H-1,5-benzodiazepine-2-carboxylic acid
Also Known As: starbld0035190, 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid, 4-phenyl-1H-1,5-benzodiazepine-2-carboxylic acid, 2-Phenyl-1H-benzo[b][1,4]diazepine-4-carboxylic acid, AT-057/43485296
Technical Specifications
| Molecular Formula | C16H12N2O2 |
| Molecular Weight | 264.08987 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 61.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.08987 Da |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=C2)C(=O)O |
| InChIKey | DDXNBXXCAQCGHT-UHFFFAOYSA-N |
Chemical Property Profile of 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid
Property Insights of 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid. Following Lipinski's Rule of Five, 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid 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 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid?
The CAS number of 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid is 1020249-95-9.
What is the molecular formula of 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid?
The molecular formula of 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid is C16H12N2O2.
What is the molecular weight of 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid?
The molecular weight of 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid is 264.08987 g/mol.
Where can I buy 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid?
You can request a quote for 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-phenyl-1H-1,5-benzodiazepine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.