methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
TL;DR: methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 19077-67-9) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
Also Known As: F0844-0014, methyl 2-{3,5-dioxo-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl}benzoate, methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate, methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-8-en-4-yl)benzoate, methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
| Molecular Formula | C17H15NO4 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 1.7847 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.1001 |
| Heavy Atoms | 22 |
| Complexity | 693.124 |
Chemical Identifiers
| CAS Number | 19077-67-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N2C(=O)C3C4CC(C3C2=O)C=C4 |
Product Overview
methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate (CAS 19077-67-9), with molecular formula C17H15NO4 and molecular weight 297.10 g/mol. IUPAC: methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate.
Chemical Property Profile of methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Property Insights of methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
The XLogP value of 1.7847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-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 methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The CAS number of methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 19077-67-9.
What is the molecular formula of methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular formula of methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate is C17H15NO4.
What is the molecular weight of methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
The molecular weight of methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate is 297.10 g/mol.
Where can I buy methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
You can request a quote for methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-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 methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.