![methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate structure](/static/products/1212/1212162-14-5.webp)
methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate
TL;DR: methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate (CAS 1212162-14-5) is a chemical compound with molecular formula C20H21NO4 and molecular weight 339.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate
Also Known As: methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate, methyl 3-(3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoate, METHYL 3-(8-ISOPROPYLIDENE-1,3-DIOXOOCTAHYDRO-2H-4,7-METHANOISOINDOL-2-YL)BENZOATE, methyl 3-[10-(methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl] benzoate, methyl 3-(1,3-dioxo-8-(propan-2-ylidene)hexahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoate
Technical Specifications
| Molecular Formula | C20H21NO4 |
| Molecular Weight | 339.14706 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.14706 Da |
| Heavy Atoms | 25 |
| Complexity | 631.0 |
| SMILES | CC(=C1C2CCC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OC)C |
| InChIKey | FSMPVYXFITZGDE-UHFFFAOYSA-N |
Chemical Property Profile of methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Property Insights of methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-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
What is the CAS number of methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate?
The CAS number of methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate is 1212162-14-5.
What is the molecular formula of methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate?
The molecular formula of methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate is C20H21NO4.
What is the molecular weight of methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate?
The molecular weight of methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate is 339.14706 g/mol.
Where can I buy methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate?
You can request a quote for methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 3-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.