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Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
TL;DR: Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate (CAS 304675-63-6) 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.
methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
Also Known As: BAS 00663324, AB00090962-01, methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate, methyl 3-(2-(1,3-dioxoisoindolin-2-yl)propanamido)benzoate, methyl 3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate
| Molecular Formula | C19H16N2O5 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 2.0964 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.10593 |
| Heavy Atoms | 26 |
| Complexity | 886.65045 |
Chemical Identifiers
| CAS Number | 304675-63-6 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=CC(=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate (CAS 304675-63-6), with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol. IUPAC: methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate.
Chemical Property Profile of Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
Property Insights of Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
The XLogP value of 2.0964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate. Following Lipinski's Rule of Five, Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]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 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate?
The CAS number of Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate is 304675-63-6.
What is the molecular formula of Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate?
The molecular formula of Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate is C19H16N2O5.
What is the molecular weight of Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate?
The molecular weight of Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate is 352.11 g/mol.
Where can I buy Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate?
You can request a quote for Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.