![3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene structure](/static/products/1728/172876-96-9.webp)
3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene
TL;DR: 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene (CAS 172876-96-9) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene
Also Known As: 3-Methoxy-4-aza-bullvalen, 3-methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene, 4-Azatricyclo[3.3.2.02,6,9-triene, 3-methoxy-, 3-Methoxy-4-azatricyclo[3.3.2.0~2,8~]deca-3,6,9-triene, 4-Azatricyclo[3.3.2.02,8]deca-3,6,9-triene, 3-methoxy-
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 172876-96-9 |
|---|---|
| SMILES | COC1=NC2C=CC3C1C3C=C2 |
| InChIKey | GSTQZXLGKKJDDU-UHFFFAOYSA-N |
Product Overview
3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene (CAS 172876-96-9), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 3-methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene.
Chemical Property Profile of 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene
Property Insights of 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene. With a topological polar surface area (TPSA) of 21.6 Ų, 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene has 0 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 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene?
The CAS number of 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene is 172876-96-9.
What is the molecular formula of 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene?
The molecular formula of 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene is C10H11NO.
What is the molecular weight of 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene?
The molecular weight of 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene is 161.08 g/mol.
Where can I buy 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene?
You can request a quote for 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-4-azatricyclo[3.3.2.02,8]deca-3,6,9-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.