![propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate structure](/static/products/4894/489401-96-9.webp)
propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate
TL;DR: propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate (CAS 489401-96-9) is a chemical compound with molecular formula C28H28N2O5 and molecular weight 472.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanoyl]amino]benzoate
Also Known As: propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate, isopropyl 4-(2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)-3-phenylpropanamido)benzoate, isopropyl 4-{[2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-3-phenylpropanoyl]amino}benzoate
| Molecular Formula | C28H28N2O5 |
|---|---|
| Molecular Weight | 472.20 g/mol |
| LogP | 3.6087 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.19983 |
| Heavy Atoms | 35 |
| Complexity | 1157.5881 |
Chemical Identifiers
| CAS Number | 489401-96-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 |
Product Overview
propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate (CAS 489401-96-9), with molecular formula C28H28N2O5 and molecular weight 472.20 g/mol. IUPAC: propan-2-yl 4-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanoyl]amino]benzoate.
Chemical Property Profile of propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate
Property Insights of propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate
The XLogP value of 3.6087 indicates that propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate. Following Lipinski's Rule of Five, propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]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 propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate?
The CAS number of propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate is 489401-96-9.
What is the molecular formula of propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate?
The molecular formula of propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate is C28H28N2O5.
What is the molecular weight of propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate?
The molecular weight of propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate is 472.20 g/mol.
Where can I buy propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate?
You can request a quote for propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 4-{[2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.