9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione
TL;DR: 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione (CAS 331666-17-2) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione
Also Known As: 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione, BAS 00386761, J2.416.785B, Benzo[b]perhydroazonine-2,7-dione, 9-methyl-, 9-Methyl-3,4,5,6-tetrahydro-1H-benzo[b]azonine-2,7-dione
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 331666-17-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)CCCCC2=O |
| InChIKey | OBAWWFIJMQZUMJ-UHFFFAOYSA-N |
Product Overview
9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione (CAS 331666-17-2), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 9-methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione.
Chemical Property Profile of 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione
Property Insights of 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Methyl-3,4,5,6-tetrahydro-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 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione?
The CAS number of 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione is 331666-17-2.
What is the molecular formula of 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione?
The molecular formula of 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione is C13H15NO2.
What is the molecular weight of 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione?
The molecular weight of 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione is 217.11 g/mol.
Where can I buy 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione?
You can request a quote for 9-Methyl-3,4,5,6-tetrahydro-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 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-Methyl-3,4,5,6-tetrahydro-1H-1-benzazonine-2,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.