![(4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate structure](/static/products/587/587013-49-8.png)
(4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate
TL;DR: (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate (CAS 587013-49-8) is a chemical compound with molecular formula C27H19N3O6 and molecular weight 481.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate
Also Known As: (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate, 4-nitrobenzyl 4-methyl-3-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate, (4-NITROPHENYL)METHYL 4-METHYL-3-{4-METHYL-1,3-DIOXO-1H,2H,3H-PYRROLO[3,4-C]QUINOLIN-2-YL}BENZOATE, 4-nitrobenzyl 4-methyl-3-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate
| Molecular Formula | C27H19N3O6 |
|---|---|
| Molecular Weight | 481.13 g/mol |
| LogP | 4.91744 |
| Topological Polar Surface Area | 119.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.12738 |
| Heavy Atoms | 36 |
| Complexity | 1593.687 |
Chemical Identifiers
| CAS Number | 587013-49-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=C(C3=O)C5=CC=CC=C5N=C4C |
Product Overview
(4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate (CAS 587013-49-8), with molecular formula C27H19N3O6 and molecular weight 481.13 g/mol. IUPAC: (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate.
Chemical Property Profile of (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate
Property Insights of (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate
The XLogP value of 4.91744 indicates that (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate. Following Lipinski's Rule of Five, (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-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-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate?
The CAS number of (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate is 587013-49-8.
What is the molecular formula of (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate?
The molecular formula of (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate is C27H19N3O6.
What is the molecular weight of (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate?
The molecular weight of (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate is 481.13 g/mol.
Where can I buy (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate?
You can request a quote for (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-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-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-nitrophenyl)methyl 4-methyl-3-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.