2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
TL;DR: 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate (CAS 488786-79-4) is a chemical compound with molecular formula C24H29NO5 and molecular weight 411.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-methylbutanoate
Also Known As: 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate, [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-methylbutanoate, 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-methylbutanoate, 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec- 4-yl)-3-methylbutanoate, 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-3-methylbutanoate
| Molecular Formula | C24H29NO5 |
|---|---|
| Molecular Weight | 411.20 g/mol |
| LogP | 3.08504 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.20456 |
| Heavy Atoms | 30 |
| Complexity | 892.1714 |
Chemical Identifiers
| CAS Number | 488786-79-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)COC(=O)C(C(C)C)N2C(=O)C3C4CCC(C4)C3C2=O)C |
Product Overview
2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate (CAS 488786-79-4), with molecular formula C24H29NO5 and molecular weight 411.20 g/mol. IUPAC: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-methylbutanoate.
Chemical Property Profile of 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
Property Insights of 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
The XLogP value of 3.08504 indicates that 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate. Following Lipinski's Rule of Five, 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate has 0 hydrogen bond donor(s) and 5 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-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate?
The CAS number of 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate is 488786-79-4.
What is the molecular formula of 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate?
The molecular formula of 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate is C24H29NO5.
What is the molecular weight of 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate?
The molecular weight of 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate is 411.20 g/mol.
Where can I buy 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate?
You can request a quote for 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dimethylphenyl)-2-oxoethyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.