![methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate structure](/static/products/3811/381188-63-2.webp)
methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
TL;DR: methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate (CAS 381188-63-2) is a chemical compound with molecular formula C22H16N2O5 and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
Also Known As: methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate, A2340/0098795, methyl 3-[5-(4-aminophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate, METHYL 3-[5-(4-AMINOPHENOXY)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL]BENZOATE
| Molecular Formula | C22H16N2O5 |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 3.6483 |
| Topological Polar Surface Area | 98.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.10593 |
| Heavy Atoms | 29 |
| Complexity | 1138.1945 |
Chemical Identifiers
| CAS Number | 381188-63-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)N |
Product Overview
methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate (CAS 381188-63-2), with molecular formula C22H16N2O5 and molecular weight 388.11 g/mol. IUPAC: methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate.
Chemical Property Profile of methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
Property Insights of methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate
The XLogP value of 3.6483 indicates that methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.93 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate has 1 hydrogen bond donor(s) and 6 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-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate?
The CAS number of methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate is 381188-63-2.
What is the molecular formula of methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate?
The molecular formula of methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate is C22H16N2O5.
What is the molecular weight of methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate?
The molecular weight of methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate is 388.11 g/mol.
Where can I buy methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate?
You can request a quote for methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]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-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.