![methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate structure](/static/products/3554/355412-56-5.webp)
methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate
TL;DR: methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate (CAS 355412-56-5) is a chemical compound with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)methylamino]benzoate
Also Known As: methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate, methyl 4-{[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)methyl]amino}benzoate, methyl 4-(((1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)amino)benzoate, methyl 4-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)methylamino]benzoate, methyl 4-{[(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl)methyl]amino}benzoat e
| Molecular Formula | C18H20N2O4 |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 1.8737 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.1423 |
| Heavy Atoms | 24 |
| Complexity | 671.4752 |
Chemical Identifiers
| CAS Number | 355412-56-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NCN2C(=O)C3C4CCC(C4)C3C2=O |
Product Overview
methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate (CAS 355412-56-5), with molecular formula C18H20N2O4 and molecular weight 328.14 g/mol. IUPAC: methyl 4-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)methylamino]benzoate.
Chemical Property Profile of methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate
Property Insights of methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate
The XLogP value of 1.8737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]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 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate?
The CAS number of methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate is 355412-56-5.
What is the molecular formula of methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate?
The molecular formula of methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate is C18H20N2O4.
What is the molecular weight of methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate?
The molecular weight of methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate is 328.14 g/mol.
Where can I buy methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate?
You can request a quote for methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]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 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)methyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.