![(E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate structure](/static/products/840/840459-46-3.png)
(E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate
TL;DR: (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate (CAS 840459-46-3) is a chemical compound with molecular formula C21H24N6O2 and molecular weight 392.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1E)-N-[14-methyl-13-(2-methylpropyl)-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]ethanimidate
Also Known As: (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate, ethyl (1E)-N-[2-methyl-3-(2-methylpropyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]ethanimidoate
| Molecular Formula | C21H24N6O2 |
|---|---|
| Molecular Weight | 392.20 g/mol |
| LogP | 3.47682 |
| Topological Polar Surface Area | 87.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.19608 |
| Heavy Atoms | 29 |
| Complexity | 1315.9891 |
Chemical Identifiers
| CAS Number | 840459-46-3 |
|---|---|
| SMILES | CCO/C(=N/N1C2=C(C3=NC4=CC=CC=C4N=C31)C(=O)N(C(=N2)C)CC(C)C)/C |
Product Overview
(E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate (CAS 840459-46-3), with molecular formula C21H24N6O2 and molecular weight 392.20 g/mol. IUPAC: ethyl (1E)-N-[14-methyl-13-(2-methylpropyl)-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]ethanimidate.
Chemical Property Profile of (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate
Property Insights of (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate
The XLogP value of 3.47682 indicates that (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate. Following Lipinski's Rule of Five, (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate 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 (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate?
The CAS number of (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate is 840459-46-3.
What is the molecular formula of (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate?
The molecular formula of (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate is C21H24N6O2.
What is the molecular weight of (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate?
The molecular weight of (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate is 392.20 g/mol.
Where can I buy (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate?
You can request a quote for (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl N-(3-isobutyl-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.