![4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid structure](/static/products/103/1039622-85-9.png)
4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid
TL;DR: 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid (CAS 1039622-85-9) is a chemical compound with molecular formula C22H19ClN2O7 and molecular weight 458.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1,3-benzodioxol-5-ylmethyl-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobutanoic acid
Also Known As: 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid, 4-[1,3-benzodioxol-5-ylmethyl-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobutanoic acid, 4-{(1,3-benzodioxol-5-ylmethyl)[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino}-4-oxobutanoic acid
| Molecular Formula | C22H19ClN2O7 |
|---|---|
| Molecular Weight | 458.09 g/mol |
| LogP | 2.5942 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.08807 |
| Heavy Atoms | 32 |
| Complexity | 1086.187 |
Chemical Identifiers
| CAS Number | 1039622-85-9 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)Cl)N(CC3=CC4=C(C=C3)OCO4)C(=O)CCC(=O)O |
Product Overview
4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid (CAS 1039622-85-9), with molecular formula C22H19ClN2O7 and molecular weight 458.09 g/mol. IUPAC: 4-[1,3-benzodioxol-5-ylmethyl-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid
Property Insights of 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid
The XLogP value of 2.5942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid 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 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid?
The CAS number of 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid is 1039622-85-9.
What is the molecular formula of 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid is C22H19ClN2O7.
What is the molecular weight of 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid is 458.09 g/mol.
Where can I buy 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((benzo[d][1,3]dioxol-5-ylmethyl)(1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.