5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
TL;DR: 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 4177-79-1) 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.
5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Also Known As: 5-phenyl-2,3,4,5-tetrahydro-1h-1,4-benzodiazepin-2-one, 5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one, 5-PHENYL-1,3,4,5-TETRAHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE, 5-phenyl-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one, 1,3,4,5-Tetrahydro-5-(phenyl)-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C15H14N2O |
|---|---|
| Molecular Weight | 238.11 g/mol |
| LogP | 2.3177 |
| 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 | 4177-79-1 |
|---|---|
| SMILES | C1C(=O)NC2=CC=CC=C2C(N1)C3=CC=CC=C3 |
Product Overview
5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one (CAS 4177-79-1), with molecular formula C15H14N2O and molecular weight 238.11 g/mol. IUPAC: 5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Property Insights of 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
The XLogP value of 2.3177 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 41.13 Ų, 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-1,3,4,5-tetrahydro-1,4-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 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The CAS number of 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 4177-79-1.
What is the molecular formula of 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular formula of 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is C15H14N2O.
What is the molecular weight of 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
The molecular weight of 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one is 238.11 g/mol.
Where can I buy 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
You can request a quote for 5-Phenyl-1,3,4,5-tetrahydro-1,4-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 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.