7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
TL;DR: 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one (CAS 22246-45-3) is a chemical compound with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
Also Known As: 7-NITRO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE, 7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one, 7-Nitro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, 7-Nitro-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one, 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
| Molecular Formula | C10H10N2O3 |
|---|---|
| Molecular Weight | 206.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.06914 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 22246-45-3 |
|---|---|
| SMILES | C1CC2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)C1 |
| InChIKey | ASVGSXZZZWXPRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one (CAS 22246-45-3), with molecular formula C10H10N2O3 and molecular weight 206.07 g/mol. IUPAC: 7-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one.
Chemical Property Profile of 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
Property Insights of 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one. Following Lipinski's Rule of Five, 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one has 1 hydrogen bond donor(s) and 3 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-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one?
The CAS number of 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one is 22246-45-3.
What is the molecular formula of 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one?
The molecular formula of 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one is C10H10N2O3.
What is the molecular weight of 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one?
The molecular weight of 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one is 206.07 g/mol.
Where can I buy 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one?
You can request a quote for 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-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-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.