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5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one
TL;DR: 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one (CAS 65533-78-0) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitroso-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Also Known As: 5-nitroso-3,4-dihydro-1H-1,5-benzodiazepin-2-one, 1-Nitroso-4-oxo-2,3,4,5-tetrahydrobenzo-1,5-diazepine, 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one, 5-Nitroso-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one, 2-nitroso-2,6-diazabicyclo[5.4.0]undeca-7,9,11-trien-5-one
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 1.5166 |
| Topological Polar Surface Area | 61.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 378.07474 |
Chemical Identifiers
| CAS Number | 65533-78-0 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C2NC1=O)N=O |
Product Overview
5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one (CAS 65533-78-0), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: 5-nitroso-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
Chemical Property Profile of 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one
Property Insights of 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one
The XLogP value of 1.5166 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one. The TPSA of 61.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one. Following Lipinski's Rule of Five, 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one has 1 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 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one?
The CAS number of 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one is 65533-78-0.
What is the molecular formula of 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one?
The molecular formula of 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one is C9H9N3O2.
What is the molecular weight of 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one?
The molecular weight of 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one is 191.07 g/mol.
Where can I buy 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one?
You can request a quote for 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-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-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-nitroso-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.