![methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate structure](/static/products/3554/355422-49-0.webp)
methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate
TL;DR: methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate (CAS 355422-49-0) is a chemical compound with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate
Also Known As: BAS 02800442, methyl 4-[2-(1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate, methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate, methyl 4-(2-(1,3-dioxoisoindolin-2-yl)hexanamido)benzoate, methyl 4-[2-(1,3-dioxobenzo[c]azolin-2-yl)hexanoylamino]benzoate
| Molecular Formula | C22H22N2O5 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 3.2667 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.15286 |
| Heavy Atoms | 29 |
| Complexity | 916.92993 |
Chemical Identifiers
| CAS Number | 355422-49-0 |
|---|---|
| SMILES | CCCCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate (CAS 355422-49-0), with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol. IUPAC: methyl 4-[2-(1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate.
Chemical Property Profile of methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate
Property Insights of methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate
The XLogP value of 3.2667 indicates that methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]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 methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]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 methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate?
The CAS number of methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate is 355422-49-0.
What is the molecular formula of methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate?
The molecular formula of methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate is C22H22N2O5.
What is the molecular weight of methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate?
The molecular weight of methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate is 394.15 g/mol.
Where can I buy methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate?
You can request a quote for methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}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-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.