![2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/799/799809-93-1.png)
2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 799809-93-1) is a chemical compound with molecular formula C28H31N5O and molecular weight 453.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-ethyl-17-hexyl-13-(2-phenylethyl)-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: 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 2-ethyl-11-hexyl-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C28H31N5O |
|---|---|
| Molecular Weight | 453.25 g/mol |
| LogP | 5.6798 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.25287 |
| Heavy Atoms | 34 |
| Complexity | 1500.3978 |
Chemical Identifiers
| CAS Number | 799809-93-1 |
|---|---|
| SMILES | CCCCCCN1C2=C(C3=NC4=CC=CC=C4N=C31)C(=O)N(C(=N2)CC)CCC5=CC=CC=C5 |
Product Overview
2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 799809-93-1), with molecular formula C28H31N5O and molecular weight 453.25 g/mol. IUPAC: 14-ethyl-17-hexyl-13-(2-phenylethyl)-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 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 5.6798 indicates that 2-ethyl-11-hexyl-3-phenethyl-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 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. Following Lipinski's Rule of Five, 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 799809-93-1.
What is the molecular formula of 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C28H31N5O.
What is the molecular weight of 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 453.25 g/mol.
Where can I buy 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
You can request a quote for 2-ethyl-11-hexyl-3-phenethyl-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 2-ethyl-11-hexyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl-11-hexyl-3-phenethyl-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.