cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
TL;DR: cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 488786-02-3) is a chemical compound with molecular formula C22H25NO4 and molecular weight 367.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate
Also Known As: BAS 00817996, cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate, cyclohexyl 3-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoate, cyclohexyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl)benzoate, cyclohexyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoate
| Molecular Formula | C22H25NO4 |
|---|---|
| Molecular Weight | 367.18 g/mol |
| LogP | 3.7116 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.17834 |
| Heavy Atoms | 27 |
| Complexity | 769.25745 |
Chemical Identifiers
| CAS Number | 488786-02-3 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O |
Product Overview
cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 488786-02-3), with molecular formula C22H25NO4 and molecular weight 367.18 g/mol. IUPAC: cyclohexyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate.
Chemical Property Profile of cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Property Insights of cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
The XLogP value of 3.7116 indicates that cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate 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 cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate. Following Lipinski's Rule of Five, cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate 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 cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The CAS number of cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 488786-02-3.
What is the molecular formula of cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular formula of cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is C22H25NO4.
What is the molecular weight of cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular weight of cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 367.18 g/mol.
Where can I buy cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
You can request a quote for cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for cyclohexyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.