2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione
TL;DR: 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione (CAS 4392-17-0) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione
Also Known As: 2,3,4,5,6,7-hexahydro-1H-1-benzazonine-2,7-dione, 3,4,5,6-Tetrahydro-1H-1-benzazonine-2,7-dione, 1-aza-8,9-benzcyclononadi-2,7-one, BAS 00386747, 3,4,5,6-Tetrahydro-1H-benzo[b]azonine-2,7-dione
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 4392-17-0 |
|---|---|
| SMILES | C1CCC(=O)NC2=CC=CC=C2C(=O)C1 |
| InChIKey | QYWBVSRVOJXMFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione (CAS 4392-17-0), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione.
Chemical Property Profile of 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione
Property Insights of 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione has 1 hydrogen bond donor(s) and 2 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 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione?
The CAS number of 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione is 4392-17-0.
What is the molecular formula of 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione?
The molecular formula of 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione is C12H13NO2.
What is the molecular weight of 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione?
The molecular weight of 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione is 203.09 g/mol.
Where can I buy 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione?
You can request a quote for 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6,7-Hexahydro-1H-1-benzazonine-2,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.