![ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate structure](/static/products/846/846597-40-8.png)
ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate
TL;DR: ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate (CAS 846597-40-8) is a chemical compound with molecular formula C26H25N5O3 and molecular weight 455.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(13-butan-2-yl-14-methyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl)benzoate
Also Known As: ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate, ethyl 4-[3-(butan-2-yl)-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
| Molecular Formula | C26H25N5O3 |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 4.73972 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.19574 |
| Heavy Atoms | 34 |
| Complexity | 1616.0049 |
Chemical Identifiers
| CAS Number | 846597-40-8 |
|---|---|
| SMILES | CCC(C)N1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OCC)C |
Product Overview
ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate (CAS 846597-40-8), with molecular formula C26H25N5O3 and molecular weight 455.20 g/mol. IUPAC: ethyl 4-(13-butan-2-yl-14-methyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl)benzoate.
Chemical Property Profile of ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate
Property Insights of ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate
The XLogP value of 4.73972 indicates that ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate 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 ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate?
The CAS number of ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate is 846597-40-8.
What is the molecular formula of ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate?
The molecular formula of ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate is C26H25N5O3.
What is the molecular weight of ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate?
The molecular weight of ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate is 455.20 g/mol.
Where can I buy ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate?
You can request a quote for ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(3-(sec-butyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.