![11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/836/836634-99-2.png)
11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 836634-99-2) is a chemical compound with molecular formula C24H19ClN6O4 and molecular weight 490.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(4-chloro-3-nitrophenyl)-14-methyl-13-(oxolan-2-ylmethyl)-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-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 11-(4-chloro-3-nitrophenyl)-2-methyl-3-(tetrahydrofuran-2-ylmethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C24H19ClN6O4 |
|---|---|
| Molecular Weight | 490.12 g/mol |
| LogP | 4.33262 |
| Topological Polar Surface Area | 117.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.11563 |
| Heavy Atoms | 35 |
| Complexity | 1721.1621 |
Chemical Identifiers
| CAS Number | 836634-99-2 |
|---|---|
| SMILES | CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)Cl)[N+](=O)[O-])C(=O)N1CC6CCCO6 |
Product Overview
11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 836634-99-2), with molecular formula C24H19ClN6O4 and molecular weight 490.12 g/mol. IUPAC: 17-(4-chloro-3-nitrophenyl)-14-methyl-13-(oxolan-2-ylmethyl)-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-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 4.33262 indicates that 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)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 117.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. Following Lipinski's Rule of Five, 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one 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 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 836634-99-2.
What is the molecular formula of 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C24H19ClN6O4.
What is the molecular weight of 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 490.12 g/mol.
Where can I buy 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
You can request a quote for 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)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 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)methyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for 11-(4-chloro-3-nitrophenyl)-2-methyl-3-((tetrahydrofuran-2-yl)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.