6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
TL;DR: 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one (CAS 140413-13-4) is a chemical compound with molecular formula C13H9N3O4 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-9-nitropyrido[2,3-b][1,5]benzoxazepin-5-one
Also Known As: 6Me-9NO2-PBOA-5one, 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one, 6-Methyl-9-nitropyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 6-Methyl-9-nitro-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 6-methyl-9-nitropyrido[2,3-b][1,5]benzoxazepin-5-one
| Molecular Formula | C13H9N3O4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.0593 |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 140413-13-4 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC3=C(C1=O)C=CC=N3 |
| InChIKey | OYYPAUJETATSMS-UHFFFAOYSA-N |
Product Overview
6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one (CAS 140413-13-4), with molecular formula C13H9N3O4 and molecular weight 271.06 g/mol. IUPAC: 6-methyl-9-nitropyrido[2,3-b][1,5]benzoxazepin-5-one.
Chemical Property Profile of 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
Property Insights of 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. Following Lipinski's Rule of Five, 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one has 0 hydrogen bond donor(s) and 5 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 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The CAS number of 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 140413-13-4.
What is the molecular formula of 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The molecular formula of 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is C13H9N3O4.
What is the molecular weight of 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The molecular weight of 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 271.06 g/mol.
Where can I buy 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
You can request a quote for 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-9-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.