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3-Azatricyclo[4.2.1.02,5]non-7-en-4-one
TL;DR: 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one (CAS 14735-70-7) is a chemical compound with molecular formula C8H9NO and molecular weight 135.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-azatricyclo[4.2.1.02,5]non-7-en-4-one
Also Known As: 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one, 3-AZA-TRICYCLO[4.2.1.0(2,5)]NON-7-EN-4-ONE, 4-Oxo-3-aza-tricyclo[4.2.1.0(2.5)]non-7-ene, 3-azatricyclo[4.2.1.0(2)]non-7-en-4-one, 3-azatricyclo[4.2.1.02?]non-7-en-4-one
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 14735-70-7 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N3 |
| InChIKey | WBZQHVKGKQXWMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Azatricyclo[4.2.1.02,5]non-7-en-4-one (CAS 14735-70-7), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: 3-azatricyclo[4.2.1.02,5]non-7-en-4-one.
Chemical Property Profile of 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one
Property Insights of 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Azatricyclo[4.2.1.02,5]non-7-en-4-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 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one?
The CAS number of 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one is 14735-70-7.
What is the molecular formula of 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one?
The molecular formula of 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one is C8H9NO.
What is the molecular weight of 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one?
The molecular weight of 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one is 135.07 g/mol.
Where can I buy 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one?
You can request a quote for 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.