4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
TL;DR: 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide (CAS 474376-64-2) is a chemical compound with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(oxolan-2-ylmethyl)benzamide
Also Known As: 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide, 4-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-N-((tetrahydrofuran-2-yl)methyl)benzamide
| Molecular Formula | C21H22N2O4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 1.9069 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.15796 |
| Heavy Atoms | 27 |
| Complexity | 795.0883 |
Chemical Identifiers
| CAS Number | 474376-64-2 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 |
Product Overview
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide (CAS 474376-64-2), with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol. IUPAC: 4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(oxolan-2-ylmethyl)benzamide.
Chemical Property Profile of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
Property Insights of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
The XLogP value of 1.9069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide. Following Lipinski's Rule of Five, 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide has 1 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 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide?
The CAS number of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide is 474376-64-2.
What is the molecular formula of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide?
The molecular formula of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide is C21H22N2O4.
What is the molecular weight of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide?
The molecular weight of 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide is 366.16 g/mol.
Where can I buy 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide?
You can request a quote for 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(tetrahydrofuran-2-ylmethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.