![3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/840/840458-96-0.png)
3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 840458-96-0) is a chemical compound with molecular formula C25H18ClN5O2 and molecular weight 455.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(4-chlorophenyl)methyl]-17-(furan-2-ylmethyl)-14-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: 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C25H18ClN5O2 |
|---|---|
| Molecular Weight | 455.11 g/mol |
| LogP | 4.94582 |
| Topological Polar Surface Area | 78.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 455.1149 |
| Heavy Atoms | 33 |
| Complexity | 1699.6842 |
Chemical Identifiers
| CAS Number | 840458-96-0 |
|---|---|
| SMILES | CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC=CO5)C(=O)N1CC6=CC=C(C=C6)Cl |
Product Overview
3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 840458-96-0), with molecular formula C25H18ClN5O2 and molecular weight 455.11 g/mol. IUPAC: 13-[(4-chlorophenyl)methyl]-17-(furan-2-ylmethyl)-14-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 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 4.94582 indicates that 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-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 78.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. Following Lipinski's Rule of Five, 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one has 0 hydrogen bond donor(s) and 5 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 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 840458-96-0.
What is the molecular formula of 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C25H18ClN5O2.
What is the molecular weight of 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 455.11 g/mol.
Where can I buy 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
You can request a quote for 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-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 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorobenzyl)-11-(furan-2-ylmethyl)-2-methyl-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.