![3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate structure](/static/products/1005/1005053-25-7.webp)
3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
TL;DR: 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate (CAS 1005053-25-7) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dimethylphenyl) 2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetate
Also Known As: 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate, 3,5-dimethylphenyl 2-(1,3-dioxo-3,3a,4,4a,5,5a,6,6a-octahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
Technical Specifications
| Molecular Formula | C21H21NO4 |
| Molecular Weight | 351.14706 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.14706 Da |
| Heavy Atoms | 26 |
| Complexity | 654.0 |
| SMILES | CC1=CC(=CC(=C1)OC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)C |
| InChIKey | DLPSGBWBIVTYPU-UHFFFAOYSA-N |
Product Description
Applications: AC1MGNWR is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, AC1MGNWR (CAS 1005053-25-7) has the molecular formula C21H21NO4 and a molecular weight of 351.15 g/mol. Synonyms include SR-01000261570-1 and 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
Property Insights of 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate. Following Lipinski's Rule of Five, 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate 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
What is the CAS number of 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
The CAS number of 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate is 1005053-25-7.
What is the molecular formula of 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
The molecular formula of 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate is C21H21NO4.
What is the molecular weight of 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
The molecular weight of 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate is 351.14706 g/mol.
What are the applications of 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
AC1MGNWR is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
You can request a quote for 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate?
Yes, CoreyChem provides custom synthesis services for 3,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.