6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
TL;DR: 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one (CAS 140413-29-2) is a chemical compound with molecular formula C14H11N3O4 and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,9-dimethyl-7-nitropyrido[2,3-b][1,5]benzoxazepin-5-one
Also Known As: Pyridobenzoxazepinone 78, 6,9-diMe-7NO2-PBOA-5one, 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one, 6,9-Dimethyl-7-nitro-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one, 6,9-dimethyl-7-nitropyrido[2,3-b][1,5]benzoxazepin-5-one
| Molecular Formula | C14H11N3O4 |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 285.07495 |
| Heavy Atoms | 21 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 140413-29-2 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)[N+](=O)[O-] |
| InChIKey | KYDALGOIRAPGOG-UHFFFAOYSA-N |
Product Overview
6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one (CAS 140413-29-2), with molecular formula C14H11N3O4 and molecular weight 285.07 g/mol. IUPAC: 6,9-dimethyl-7-nitropyrido[2,3-b][1,5]benzoxazepin-5-one.
Chemical Property Profile of 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
Property Insights of 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,9-Dimethyl-7-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 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one. Following Lipinski's Rule of Five, 6,9-Dimethyl-7-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 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The CAS number of 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 140413-29-2.
What is the molecular formula of 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The molecular formula of 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is C14H11N3O4.
What is the molecular weight of 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
The molecular weight of 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one is 285.07 g/mol.
Where can I buy 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
You can request a quote for 6,9-Dimethyl-7-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 6,9-Dimethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6,9-Dimethyl-7-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.