4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate
TL;DR: 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate (CAS 488730-26-3) is a chemical compound with molecular formula C23H29NO4 and molecular weight 383.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] octanoate
Also Known As: 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate, 4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)phenyl octanoate, [4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] octanoate
| Molecular Formula | C23H29NO4 |
|---|---|
| Molecular Weight | 383.21 g/mol |
| LogP | 4.488 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.20966 |
| Heavy Atoms | 28 |
| Complexity | 728.3707 |
Chemical Identifiers
| CAS Number | 488730-26-3 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4CCC(C4)C3C2=O |
Product Overview
4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate (CAS 488730-26-3), with molecular formula C23H29NO4 and molecular weight 383.21 g/mol. IUPAC: [4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] octanoate.
Chemical Property Profile of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate
Property Insights of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate
The XLogP value of 4.488 indicates that 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate. Following Lipinski's Rule of Five, 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate 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-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate?
The CAS number of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate is 488730-26-3.
What is the molecular formula of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate?
The molecular formula of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate is C23H29NO4.
What is the molecular weight of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate?
The molecular weight of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate is 383.21 g/mol.
Where can I buy 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate?
You can request a quote for 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.