(1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate
TL;DR: (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate (CAS 445262-18-0) is a chemical compound with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate
Also Known As: AL-281/40863502, (1,3-dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate, (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate, (1,3-dioxoisoindolin-2-yl)methyl 4-((4-methoxyphenyl)amino)-4-oxobutanoate
| Molecular Formula | C20H18N2O6 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 2.2108 |
| Topological Polar Surface Area | 102.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.1165 |
| Heavy Atoms | 28 |
| Complexity | 887.5481 |
Chemical Identifiers
| CAS Number | 445262-18-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CCC(=O)OCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
(1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate (CAS 445262-18-0), with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate.
Chemical Property Profile of (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate
Property Insights of (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate
The XLogP value of 2.2108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate. The TPSA of 102.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate. Following Lipinski's Rule of Five, (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate 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 (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate?
The CAS number of (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate is 445262-18-0.
What is the molecular formula of (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate?
The molecular formula of (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate is C20H18N2O6.
What is the molecular weight of (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate?
The molecular weight of (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate is 382.12 g/mol.
Where can I buy (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate?
You can request a quote for (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dioxoisoindol-2-yl)methyl 4-(4-methoxyanilino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.