![methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate structure](/static/products/4443/444338-54-9.webp)
methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate
TL;DR: methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate (CAS 444338-54-9) is a chemical compound with molecular formula C19H18N2O5 and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]benzoate
Also Known As: methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate, methyl 2-(2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)acetamido)benzoate
| Molecular Formula | C19H18N2O5 |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 1.2188 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.12158 |
| Heavy Atoms | 26 |
| Complexity | 816.0862 |
Chemical Identifiers
| CAS Number | 444338-54-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CN2C(=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)acetyl]amino}benzoate (CAS 444338-54-9), with molecular formula C19H18N2O5 and molecular weight 354.12 g/mol. IUPAC: methyl 2-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate
Property Insights of methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate
The XLogP value of 1.2188 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)acetyl]amino}benzoate. The TPSA of 92.78 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)acetyl]amino}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)acetyl]amino}benzoate has 1 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 methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate?
The CAS number of methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate is 444338-54-9.
What is the molecular formula of methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate?
The molecular formula of methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate is C19H18N2O5.
What is the molecular weight of methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate?
The molecular weight of methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate is 354.12 g/mol.
Where can I buy methyl 2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}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)acetyl]amino}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)acetyl]amino}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)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.