4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one
TL;DR: 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one (CAS 697234-10-9) is a chemical compound with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-9-nitro-4,5-dihydro-1,4-benzoxazepin-3-one
Also Known As: 7-methyl-9-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one, 7-methyl-9-nitro-4,5-dihydro-1,4-benzoxazepin-3-one, 7-Methyl-9-nitro-4,5-dihydrobenzo[f][1,4]oxazepin-3(2H)-one, 7-methyl-9-nitro-2,3,4,5-tetrahydro-1,4-benzoxazepin-3-one, 1,4-benzoxazepin-3(2H)-one, 4,5-dihydro-7-methyl-9-nitro-
| Molecular Formula | C10H10N2O4 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 0.91182 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.06406 |
| Heavy Atoms | 16 |
| Complexity | 470.132 |
Chemical Identifiers
| CAS Number | 697234-10-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)[N+](=O)[O-])OCC(=O)NC2 |
Product Overview
4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one (CAS 697234-10-9), with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol. IUPAC: 7-methyl-9-nitro-4,5-dihydro-1,4-benzoxazepin-3-one.
Chemical Property Profile of 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one
Property Insights of 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one
The XLogP value of 0.91182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one. Following Lipinski's Rule of Five, 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-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 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one?
The CAS number of 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one is 697234-10-9.
What is the molecular formula of 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one?
The molecular formula of 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one is C10H10N2O4.
What is the molecular weight of 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one?
The molecular weight of 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one is 222.06 g/mol.
Where can I buy 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one?
You can request a quote for 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-7-methyl-9-nitro-1,4-benzoxazepin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.