![4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate structure](/static/products/5164/516469-66-2.webp)
4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate
TL;DR: 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate (CAS 516469-66-2) is a chemical compound with molecular formula C29H22N2O6 and molecular weight 494.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoyl]oxymethyl]benzoate
Also Known As: 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate, 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate, ethyl 4-[[4-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoyl]oxymethyl]benzoate
| Molecular Formula | C29H22N2O6 |
|---|---|
| Molecular Weight | 494.15 g/mol |
| LogP | 4.87752 |
| Topological Polar Surface Area | 102.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.1478 |
| Heavy Atoms | 37 |
| Complexity | 1558.3896 |
Chemical Identifiers
| CAS Number | 516469-66-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C5=CC=CC=C5N=C4C |
Product Overview
4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate (CAS 516469-66-2), with molecular formula C29H22N2O6 and molecular weight 494.15 g/mol. IUPAC: ethyl 4-[[4-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoyl]oxymethyl]benzoate.
Chemical Property Profile of 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate
Property Insights of 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate
The XLogP value of 4.87752 indicates that 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate. Following Lipinski's Rule of Five, 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate has 0 hydrogen bond donor(s) and 7 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-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate?
The CAS number of 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate is 516469-66-2.
What is the molecular formula of 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate?
The molecular formula of 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate is C29H22N2O6.
What is the molecular weight of 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate?
The molecular weight of 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate is 494.15 g/mol.
Where can I buy 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate?
You can request a quote for 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(ethoxycarbonyl)benzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.