![11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/840/840461-05-4.webp)
11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 840461-05-4) is a chemical compound with molecular formula C26H18ClN5O and molecular weight 451.12 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
17-benzyl-13-[(2-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-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 11-benzyl-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Technical Specifications
| Molecular Formula | C26H18ClN5O |
| Molecular Weight | 451.12 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.12 Da |
| Heavy Atoms | 33 |
| Complexity | 742.0 |
| SMILES | C1=CC=C(C=C1)CN2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC6=CC=CC=C6Cl |
| InChIKey | FIWYMCGMKHQXEM-UHFFFAOYSA-N |
Product Description
Applications: AC1LYV6N is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1LYV6N (CAS 840461-05-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1LYV6N (CAS 840461-05-4) is a fine chemical with the molecular formula C26H18ClN5O and a molecular weight of 451.12 g/mol. It is also known as 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one and 11-benzyl-3-(2-chlorobenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 4.7 indicates that 11-benzyl-3-(2-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 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. Following Lipinski's Rule of Five, 11-benzyl-3-(2-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 840461-05-4.
What is the molecular formula of 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C26H18ClN5O.
What is the molecular weight of 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 451.12 g/mol.
What are the applications of 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
AC1LYV6N is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1LYV6N (CAS 840461-05-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
You can request a quote for 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11-benzyl-3-(2-chlorobenzyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
Yes, CoreyChem provides custom synthesis services for 11-benzyl-3-(2-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.