![11-(4-chloro-3-nitrophenyl)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/836/836652-39-2.png)
11-(4-chloro-3-nitrophenyl)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: 11-(4-chloro-3-nitrophenyl)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 836652-39-2) is a chemical compound with molecular formula C22H17ClN6O3 and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(4-chloro-3-nitrophenyl)-13-(2-methylpropyl)-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)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 11-(4-chloro-3-nitrophenyl)-3-(2-methylpropyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C22H17ClN6O3 |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 4.5012 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.10507 |
| Heavy Atoms | 32 |
| Complexity | 1605.015 |
Chemical Identifiers
| CAS Number | 836652-39-2 |
|---|---|
| SMILES | CC(C)CN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)Cl)[N+](=O)[O-] |
Product Overview
11-(4-chloro-3-nitrophenyl)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 836652-39-2), with molecular formula C22H17ClN6O3 and molecular weight 448.11 g/mol. IUPAC: 17-(4-chloro-3-nitrophenyl)-13-(2-methylpropyl)-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)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of 11-(4-chloro-3-nitrophenyl)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 4.5012 indicates that 11-(4-chloro-3-nitrophenyl)-3-isobutyl-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 108.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(4-chloro-3-nitrophenyl)-3-isobutyl-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)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one has 0 hydrogen bond donor(s) and 6 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)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of 11-(4-chloro-3-nitrophenyl)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 836652-39-2.
What is the molecular formula of 11-(4-chloro-3-nitrophenyl)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of 11-(4-chloro-3-nitrophenyl)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C22H17ClN6O3.
What is the molecular weight of 11-(4-chloro-3-nitrophenyl)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of 11-(4-chloro-3-nitrophenyl)-3-isobutyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 448.11 g/mol.
Where can I buy 11-(4-chloro-3-nitrophenyl)-3-isobutyl-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)-3-isobutyl-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)-3-isobutyl-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)-3-isobutyl-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.