methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate
TL;DR: methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate (CAS 840473-79-2) is a chemical compound with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(benzylcarbamoylamino)-2-(1,3-dioxoisoindol-2-yl)-4-oxobutanoate
Also Known As: methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate, methyl 4-(benzylcarbamoylamino)-2-(1,3-dioxoisoindol-2-yl)-4-oxobutanoate, methyl 4-[(benzylcarbamoyl)amino]-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-oxobutanoate
| Molecular Formula | C21H19N3O6 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 1.2403 |
| Topological Polar Surface Area | 121.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.12738 |
| Heavy Atoms | 30 |
| Complexity | 969.8111 |
Chemical Identifiers
| CAS Number | 840473-79-2 |
|---|---|
| SMILES | COC(=O)C(CC(=O)NC(=O)NCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate (CAS 840473-79-2), with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol. IUPAC: methyl 4-(benzylcarbamoylamino)-2-(1,3-dioxoisoindol-2-yl)-4-oxobutanoate.
Chemical Property Profile of methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate
Property Insights of methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate
The XLogP value of 1.2403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate. The TPSA of 121.88 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate. Following Lipinski's Rule of Five, methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate has 2 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 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate?
The CAS number of methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate is 840473-79-2.
What is the molecular formula of methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate?
The molecular formula of methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate is C21H19N3O6.
What is the molecular weight of methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate?
The molecular weight of methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate is 409.13 g/mol.
Where can I buy methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate?
You can request a quote for methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate 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-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-benzylureido)-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.