![4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate structure](/static/products/6649/664975-45-5.webp)
4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate
TL;DR: 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate (CAS 664975-45-5) is a chemical compound with molecular formula C26H17BrN2O4 and molecular weight 500.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl 4-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate
Also Known As: 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate, (4-bromophenyl)methyl 4-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate, 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1H-pyrrolo[3,4-c]quinolin-2(3H)-yl)benzoate
| Molecular Formula | C26H17BrN2O4 |
|---|---|
| Molecular Weight | 500.04 g/mol |
| LogP | 5.46332 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.03717 |
| Heavy Atoms | 33 |
| Complexity | 1429.6532 |
Chemical Identifiers
| CAS Number | 664975-45-5 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C3=C1C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC5=CC=C(C=C5)Br |
Product Overview
4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate (CAS 664975-45-5), with molecular formula C26H17BrN2O4 and molecular weight 500.04 g/mol. IUPAC: (4-bromophenyl)methyl 4-(4-methyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl)benzoate.
Chemical Property Profile of 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate
Property Insights of 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate
The XLogP value of 5.46332 indicates that 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate. Following Lipinski's Rule of Five, 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate?
The CAS number of 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate is 664975-45-5.
What is the molecular formula of 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate?
The molecular formula of 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate is C26H17BrN2O4.
What is the molecular weight of 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate?
The molecular weight of 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate is 500.04 g/mol.
Where can I buy 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate?
You can request a quote for 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[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-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-bromobenzyl 4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.