![4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone structure](/static/products/4591/459155-08-9.webp)
4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone
TL;DR: 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone (CAS 459155-08-9) is a chemical compound with molecular formula C17H14ClNO4 and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-4-methylphenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
Also Known As: AO-081/40878365, 4-(3-chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone, 2-(3-chloro-4-methylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,6H)-tetraone, 4-(3-chloro-4-methylphenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone, 2-(3-chloro-4-methylphenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone
| Molecular Formula | C17H14ClNO4 |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 1.93202 |
| Topological Polar Surface Area | 71.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.06113 |
| Heavy Atoms | 23 |
| Complexity | 746.7981 |
Chemical Identifiers
| CAS Number | 459155-08-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3C4CC(=O)C(C3C2=O)CC4=O)Cl |
Product Overview
4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone (CAS 459155-08-9), with molecular formula C17H14ClNO4 and molecular weight 331.06 g/mol. IUPAC: 4-(3-chloro-4-methylphenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone.
Chemical Property Profile of 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone
Property Insights of 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone
The XLogP value of 1.93202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone. The TPSA of 71.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone. Following Lipinski's Rule of Five, 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone has 0 hydrogen bond donor(s) and 4 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 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone?
The CAS number of 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone is 459155-08-9.
What is the molecular formula of 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone?
The molecular formula of 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone is C17H14ClNO4.
What is the molecular weight of 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone?
The molecular weight of 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone is 331.06 g/mol.
Where can I buy 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone?
You can request a quote for 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Chloro-4-methylphenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.