![11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/836/836644-98-5.png)
11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 836644-98-5) is a chemical compound with molecular formula C25H15BrClN5O and molecular weight 515.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(4-bromophenyl)-13-[(4-chlorophenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C25H15BrClN5O |
|---|---|
| Molecular Weight | 515.01 g/mol |
| LogP | 5.7478 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 515.01483 |
| Heavy Atoms | 33 |
| Complexity | 1723.3236 |
Chemical Identifiers
| CAS Number | 836644-98-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3C4=C(N=CN(C4=O)CC5=CC=C(C=C5)Cl)N(C3=N2)C6=CC=C(C=C6)Br |
Product Overview
11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 836644-98-5), with molecular formula C25H15BrClN5O and molecular weight 515.01 g/mol. IUPAC: 17-(4-bromophenyl)-13-[(4-chlorophenyl)methyl]-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 5.7478 indicates that 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. Following Lipinski's Rule of Five, 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 836644-98-5.
What is the molecular formula of 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C25H15BrClN5O.
What is the molecular weight of 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 515.01 g/mol.
Where can I buy 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
You can request a quote for 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for 11-(4-bromophenyl)-3-(4-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.