7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
TL;DR: 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one (CAS 670230-27-0) is a chemical compound with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-4,5-dihydro-1,4-benzoxazepin-3-one
Also Known As: 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one, 7-nitro-4,5-dihydro-1,4-benzoxazepin-3-one, 7-nitro-2H,4H,5H-benzo[f]1,4-oxazepin-3-one, A2991/0126029, 7-NITRO-2,3,4,5-TETRAHYDRO-1,4-BENZOXAZEPIN-3-ONE
| Molecular Formula | C9H8N2O4 |
|---|---|
| Molecular Weight | 208.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.0484 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 670230-27-0 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)N1 |
| InChIKey | GPWQCPJNIXBZCX-UHFFFAOYSA-N |
Product Overview
7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one (CAS 670230-27-0), with molecular formula C9H8N2O4 and molecular weight 208.05 g/mol. IUPAC: 7-nitro-4,5-dihydro-1,4-benzoxazepin-3-one.
Chemical Property Profile of 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
Property Insights of 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one. Following Lipinski's Rule of Five, 7-nitro-4,5-dihydro-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 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one?
The CAS number of 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one is 670230-27-0.
What is the molecular formula of 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one?
The molecular formula of 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one is C9H8N2O4.
What is the molecular weight of 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one?
The molecular weight of 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one is 208.05 g/mol.
Where can I buy 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one?
You can request a quote for 7-nitro-4,5-dihydro-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 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-nitro-4,5-dihydro-1,4-benzoxazepin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.