![Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate structure](/static/products/5724/57245-76-8.webp)
Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate
TL;DR: Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate (CAS 57245-76-8) is a chemical compound with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate
Also Known As: methyl 4-[[(2E)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopro, methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate, methyl 4-{[3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-2-(hydroxyimino)propyl](methyl)amino}benzoate
| Molecular Formula | C20H19N3O5 |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.13248 |
| Heavy Atoms | 28 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 57245-76-8 |
|---|---|
| SMILES | CN(CC(=NO)CN1C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)C(=O)OC |
| InChIKey | HDLVALPLKOOMOH-UHFFFAOYSA-N |
Product Overview
Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate (CAS 57245-76-8), with molecular formula C20H19N3O5 and molecular weight 381.13 g/mol. IUPAC: methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate.
Chemical Property Profile of Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate
Property Insights of Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate has 1 hydrogen bond donor(s) and 7 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-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate?
The CAS number of Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate is 57245-76-8.
What is the molecular formula of Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate?
The molecular formula of Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate is C20H19N3O5.
What is the molecular weight of Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate?
The molecular weight of Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate is 381.13 g/mol.
Where can I buy Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate?
You can request a quote for Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]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-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[3-(1,3-dioxoisoindol-2-yl)-2-hydroxyiminopropyl]-methylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.