4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate
TL;DR: 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate (CAS 1005053-45-1) is a chemical compound with molecular formula C22H18FNO4 and molecular weight 379.12 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] 2-fluorobenzoate
Also Known As: 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate, 4-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)phenyl 2-fluorobenzoate
| Molecular Formula | C22H18FNO4 |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 3.5804 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.12198 |
| Heavy Atoms | 28 |
| Complexity | 958.2862 |
Chemical Identifiers
| CAS Number | 1005053-45-1 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)OC(=O)C5=CC=CC=C5F |
Product Overview
4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate (CAS 1005053-45-1), with molecular formula C22H18FNO4 and molecular weight 379.12 g/mol. IUPAC: [4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)phenyl] 2-fluorobenzoate.
Chemical Property Profile of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate
Property Insights of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate
The XLogP value of 3.5804 indicates that 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate 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 2-fluorobenzoate. Following Lipinski's Rule of Five, 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate 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 2-fluorobenzoate?
The CAS number of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate is 1005053-45-1.
What is the molecular formula of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate?
The molecular formula of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate is C22H18FNO4.
What is the molecular weight of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate?
The molecular weight of 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate is 379.12 g/mol.
Where can I buy 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate?
You can request a quote for 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate 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 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.