2-Phenyl-1,4-diazepane
TL;DR: 2-Phenyl-1,4-diazepane (CAS 105627-85-8) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-1,4-diazepane
Also Known As: 2-phenyl-1,4-diazepane, 2-PHENYL-[1,4]DIAZEPANE, 1H-1,4-Diazepine,hexahydro-2-phenyl-, 1H-1,4-Diazepine,hexahydro-2-phenyl, I14-39962
Technical Specifications
| Molecular Formula | C11H16N2 |
| Molecular Weight | 176.13135 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.13135 Da |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
| SMILES | C1CNCC(NC1)C2=CC=CC=C2 |
| InChIKey | PQOLMVXRIQLMNF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenyl-1,4-diazepane
Property Insights of 2-Phenyl-1,4-diazepane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-1,4-diazepane. With a topological polar surface area (TPSA) of 24.1 Ų, 2-Phenyl-1,4-diazepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1,4-diazepane has 2 hydrogen bond donor(s) and 2 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-1,4-diazepane?
The CAS number of 2-Phenyl-1,4-diazepane is 105627-85-8.
What is the molecular formula of 2-Phenyl-1,4-diazepane?
The molecular formula of 2-Phenyl-1,4-diazepane is C11H16N2.
What is the molecular weight of 2-Phenyl-1,4-diazepane?
The molecular weight of 2-Phenyl-1,4-diazepane is 176.13135 g/mol.
Where can I buy 2-Phenyl-1,4-diazepane?
You can request a quote for 2-Phenyl-1,4-diazepane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenyl-1,4-diazepane?
Yes, CoreyChem provides custom synthesis services for 2-Phenyl-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.