![ethyl 4-(3-(3-ethoxypropyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate structure](/static/products/844/844465-54-9.png)
ethyl 4-(3-(3-ethoxypropyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate
TL;DR: ethyl 4-(3-(3-ethoxypropyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate (CAS 844465-54-9) is a chemical compound with molecular formula C27H27N5O4 and molecular weight 485.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[13-(3-ethoxypropyl)-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-(3-ethoxypropyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate, ethyl 4-[3-(3-ethoxypropyl)-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
| Molecular Formula | C27H27N5O4 |
|---|---|
| Molecular Weight | 485.21 g/mol |
| LogP | 4.19532 |
| Topological Polar Surface Area | 101.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.2063 |
| Heavy Atoms | 36 |
| Complexity | 1636.5032 |
Chemical Identifiers
| CAS Number | 844465-54-9 |
|---|---|
| SMILES | CCOCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OCC)C |
Product Overview
ethyl 4-(3-(3-ethoxypropyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate (CAS 844465-54-9), with molecular formula C27H27N5O4 and molecular weight 485.21 g/mol. IUPAC: ethyl 4-[13-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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-(3-ethoxypropyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate
The XLogP value of 4.19532 indicates that ethyl 4-(3-(3-ethoxypropyl)-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 101.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(3-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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 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 ethyl 4-(3-(3-ethoxypropyl)-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-(3-ethoxypropyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate is 844465-54-9.
What is the molecular formula of ethyl 4-(3-(3-ethoxypropyl)-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-(3-ethoxypropyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate is C27H27N5O4.
What is the molecular weight of ethyl 4-(3-(3-ethoxypropyl)-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-(3-ethoxypropyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate is 485.21 g/mol.
Where can I buy ethyl 4-(3-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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-(3-ethoxypropyl)-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.