2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone
TL;DR: 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone (CAS 495385-60-9) is a chemical compound with molecular formula C16H12ClNO4 and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone
Also Known As: AO-081/40801161, 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone, 4-(4-chlorophenyl)-4-azatricyclo[5.2.2.0<2,6>]undecane-3,5,8,10-tetraone, 4-(4-chlorophenyl)-4-azatricyclo[5.2.2.0~2,6~]undecane-3,5,8,10-tetrone, (3aR,4R,7R,7aS)-2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,6H)-tetraone
| Molecular Formula | C16H12ClNO4 |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 1.6236 |
| Topological Polar Surface Area | 71.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.04547 |
| Heavy Atoms | 22 |
| Complexity | 686.16626 |
Chemical Identifiers
| CAS Number | 495385-60-9 |
|---|---|
| SMILES | C1C2C3C(C(C1=O)CC2=O)C(=O)N(C3=O)C4=CC=C(C=C4)Cl |
Product Overview
2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone (CAS 495385-60-9), with molecular formula C16H12ClNO4 and molecular weight 317.05 g/mol. IUPAC: 4-(4-chlorophenyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8,10-tetrone.
Chemical Property Profile of 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone
Property Insights of 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone
The XLogP value of 1.6236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone. The TPSA of 71.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-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 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
The CAS number of 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone is 495385-60-9.
What is the molecular formula of 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
The molecular formula of 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone is C16H12ClNO4.
What is the molecular weight of 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
The molecular weight of 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone is 317.05 g/mol.
Where can I buy 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
You can request a quote for 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)tetrahydro-1H-4,7-ethanoisoindole-1,3,5,8(2H,4H)-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.