2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 489452-29-1) is a chemical compound with molecular formula C21H19NO3 and molecular weight 333.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-phenoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-(4-phenoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione, 4-(4-phenoxyphenyl)-4-azatricyclo[5.2.1.0<2,6>]decane-3,5-dione, 4-(4-phenoxyphenyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
| Molecular Formula | C21H19NO3 |
|---|---|
| Molecular Weight | 333.14 g/mol |
| LogP | 4.0144 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.1365 |
| Heavy Atoms | 25 |
| Complexity | 801.9795 |
Chemical Identifiers
| CAS Number | 489452-29-1 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5 |
Product Overview
2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 489452-29-1), with molecular formula C21H19NO3 and molecular weight 333.14 g/mol. IUPAC: 4-(4-phenoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
Chemical Property Profile of 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 4.0144 indicates that 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 3 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-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 489452-29-1.
What is the molecular formula of 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C21H19NO3.
What is the molecular weight of 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 333.14 g/mol.
Where can I buy 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-phenoxyphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.