![12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione structure](/static/products/1660/16609-38-4.webp)
12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione
TL;DR: 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione (CAS 16609-38-4) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione
Also Known As: RCL T189367, 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione, 1,2,3,4,5,8-Hexahydro-4a,8a-(methanoiminomethano)naphthalene-9,11-dione, 1,2,3,4,5,8-hexahydro-4a,8a-[2]azapropano-naphthalene-9,11-dione
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 16609-38-4 |
|---|---|
| SMILES | C1CCC23CC=CCC2(C1)C(=O)NC3=O |
| InChIKey | GQWDTBUFUCDDTJ-UHFFFAOYSA-N |
Product Overview
12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione (CAS 16609-38-4), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 12-azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione.
Chemical Property Profile of 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione
Property Insights of 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione. With a topological polar surface area (TPSA) of 46.2 Ų, 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-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 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione?
The CAS number of 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione is 16609-38-4.
What is the molecular formula of 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione?
The molecular formula of 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione is C12H15NO2.
What is the molecular weight of 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione?
The molecular weight of 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione is 205.11 g/mol.
Where can I buy 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione?
You can request a quote for 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione?
Yes, KEHONG BIO provides custom synthesis services for 12-Azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.