4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
TL;DR: 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CAS 16442-58-3) is a chemical compound with molecular formula C15H14N2O and molecular weight 238.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
Also Known As: 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one, 4-PHENYL-1,3,4,5-TETRAHYDRO-1,5-BENZODIAZEPIN-2-ONE, 2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one, 2H-1,5-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-4-phenyl-, 4-Phenyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
| Molecular Formula | C15H14N2O |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | 3.182 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.11061 |
| Heavy Atoms | 18 |
| Complexity | 565.7161 |
Chemical Identifiers
| CAS Number | 16442-58-3 |
|---|---|
| SMILES | C1C(NC2=CC=CC=C2NC1=O)C3=CC=CC=C3 |
Product Overview
4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CAS 16442-58-3), with molecular formula C15H14N2O and molecular weight 238.11 g/mol. IUPAC: 2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one.
Chemical Property Profile of 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
Property Insights of 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
The XLogP value of 3.182 indicates that 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one 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
Frequently Asked Questions
What is the CAS number of 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The CAS number of 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is 16442-58-3.
What is the molecular formula of 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The molecular formula of 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is C15H14N2O.
What is the molecular weight of 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The molecular weight of 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is 238.11 g/mol.
Where can I buy 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
You can request a quote for 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.