![8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one structure](/static/products/1639/16398-19-9.webp)
8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
TL;DR: 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one (CAS 16398-19-9) is a chemical compound with molecular formula C14H10N2O4 and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one
Also Known As: 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one, 3-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one, 8-methyl-2-nitro-10H-dibenzo[b,f]1,4-oxazepin-11-one, 8-Methyl-2-nitro-10H-dibenzo[b,f][1,4]oxazepin-11-one, A2537/0107952
| Molecular Formula | C14H10N2O4 |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.06406 |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 16398-19-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2 |
| InChIKey | UAZQPUJBGXZXBM-UHFFFAOYSA-N |
Product Overview
8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one (CAS 16398-19-9), with molecular formula C14H10N2O4 and molecular weight 270.06 g/mol. IUPAC: 3-methyl-8-nitro-5H-benzo[b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Property Insights of 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one. Following Lipinski's Rule of Five, 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-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
Frequently Asked Questions
What is the CAS number of 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one?
The CAS number of 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one is 16398-19-9.
What is the molecular formula of 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one?
The molecular formula of 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one is C14H10N2O4.
What is the molecular weight of 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one?
The molecular weight of 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one is 270.06 g/mol.
Where can I buy 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one?
You can request a quote for 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-Methyl-2-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.