![1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one structure](/static/products/613/613653-05-7.png)
1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one
TL;DR: 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one (CAS 613653-05-7) is a chemical compound with molecular formula C16H12N4O and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1,10-dihydroimidazo[4,5-b][1,5]benzodiazepin-2-one
Also Known As: Imidazo[4,5-b][1,5]benzodiazepin-2(1H)-one,3,9-dih, 3-phenyl-5,10-dihydroimidazo[4,5-b][1,5]benzodiazepin-2-one, 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one, Imidazo[4,5-b][1,5]benzodiazepin-2(1H)-one,3,9-dihydro-1-phenyl-
| Molecular Formula | C16H12N4O |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 2.9732 |
| Topological Polar Surface Area | 62.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.1011 |
| Heavy Atoms | 21 |
| Complexity | 890.1405 |
Chemical Identifiers
| CAS Number | 613653-05-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(NC4=CC=CC=C4N=C3)NC2=O |
Product Overview
1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one (CAS 613653-05-7), with molecular formula C16H12N4O and molecular weight 276.10 g/mol. IUPAC: 3-phenyl-1,10-dihydroimidazo[4,5-b][1,5]benzodiazepin-2-one.
Chemical Property Profile of 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one
Property Insights of 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one
The XLogP value of 2.9732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one. The TPSA of 62.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one. Following Lipinski's Rule of Five, 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one has 2 hydrogen bond donor(s) and 3 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 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one?
The CAS number of 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one is 613653-05-7.
What is the molecular formula of 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one?
The molecular formula of 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one is C16H12N4O.
What is the molecular weight of 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one?
The molecular weight of 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one is 276.10 g/mol.
Where can I buy 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one?
You can request a quote for 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-4H,9H-benzo[b]1,3-diazolino[4,5-e]1,4-diazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.