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Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate
TL;DR: Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate (CAS 7508-58-9) is a chemical compound with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate
Also Known As: Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetamido)benzoate, ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate, BAS 00556562, 4,4'-Bis-allyloxy-3,3'-dimethoxy-benzil, ethyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]benzoate
| Molecular Formula | C19H16N2O5 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 352.10593 |
| Heavy Atoms | 26 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 7508-58-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | WLRCWZBRNHGISW-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate (CAS 7508-58-9), with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol. IUPAC: ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate
Property Insights of Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-(1,3-dioxoisoindol-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 Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate is 7508-58-9.
What is the molecular formula of Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate is C19H16N2O5.
What is the molecular weight of Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate is 352.11 g/mol.
Where can I buy Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-(1,3-dioxoisoindol-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 Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.