![2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one structure](/static/products/1358/135810-39-8.webp)
2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
TL;DR: 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one (CAS 135810-39-8) is a chemical compound with molecular formula C14H10N2O4 and molecular weight 270.06406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Also Known As: 7-methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one, 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one, 5-methyl-13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one, 2-nitro-7-methyldibenz[b,f][1,4]oxazepin-11(10H)-one, 7-Methyl-2-nitro-dibenzo[b,f][1,4]oxazepin-11(10H)one
Technical Specifications
| Molecular Formula | C14H10N2O4 |
| Molecular Weight | 270.06406 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.06406 Da |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
| SMILES | CC1=CC2=C(C=C1)NC(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-] |
| InChIKey | PTULHSNFKGQOAW-UHFFFAOYSA-N |
Chemical Property Profile of 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Property Insights of 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one. Following Lipinski's Rule of Five, 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The CAS number of 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is 135810-39-8.
What is the molecular formula of 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The molecular formula of 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is C14H10N2O4.
What is the molecular weight of 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
The molecular weight of 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one is 270.06406 g/mol.
Where can I buy 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
You can request a quote for 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one?
Yes, CoreyChem provides custom synthesis services for 2-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.