![2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one structure](/static/products/946/94641-48-2.png)
2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one
TL;DR: 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one (CAS 94641-48-2) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-azatricyclo[8.1.1.02,7]dodeca-2,4,6-trien-8-one
Also Known As: 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one, 3,5-Methano-2,3,4,5-tetrahydro-1H-1-benzazepin-1-one, 2,3,4,5-tetrahydro-1h-3,5-methano-2-benzazepin-1-one, 3,5-Methano-2,3,4,5(1H)-tetrahydrobenzo(c)azepine-1-one, 9-azatricyclo[8.1.1.02?]dodeca-2(7),3,5-trien-8-one
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 94641-48-2 |
|---|---|
| SMILES | C1C2CC1NC(=O)C3=CC=CC=C23 |
| InChIKey | XXSXFDZEKPPMKM-UHFFFAOYSA-N |
Product Overview
2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one (CAS 94641-48-2), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 9-azatricyclo[8.1.1.02,7]dodeca-2,4,6-trien-8-one.
Chemical Property Profile of 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one
Property Insights of 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one has 1 hydrogen bond donor(s) and 1 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-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one?
The CAS number of 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one is 94641-48-2.
What is the molecular formula of 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one?
The molecular formula of 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one is C11H11NO.
What is the molecular weight of 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one?
The molecular weight of 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one is 173.08 g/mol.
Where can I buy 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one?
You can request a quote for 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one 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-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrahydro-1H-3,5-methanobenzo[c]azepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.