![11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/848/848057-30-7.png)
11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 848057-30-7) is a chemical compound with molecular formula C27H29N5O2 and molecular weight 455.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(4-butan-2-ylphenyl)-13-(3-ethoxypropyl)-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-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 11-[4-(butan-2-yl)phenyl]-3-(3-ethoxypropyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C27H29N5O2 |
|---|---|
| Molecular Weight | 455.23 g/mol |
| LogP | 5.2237 |
| Topological Polar Surface Area | 74.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.23212 |
| Heavy Atoms | 34 |
| Complexity | 1518.2231 |
Chemical Identifiers
| CAS Number | 848057-30-7 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CCCOCC |
Product Overview
11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 848057-30-7), with molecular formula C27H29N5O2 and molecular weight 455.23 g/mol. IUPAC: 17-(4-butan-2-ylphenyl)-13-(3-ethoxypropyl)-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-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 5.2237 indicates that 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-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 74.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. Following Lipinski's Rule of Five, 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 848057-30-7.
What is the molecular formula of 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C27H29N5O2.
What is the molecular weight of 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 455.23 g/mol.
Where can I buy 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
You can request a quote for 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-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-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for 11-(4-(sec-butyl)phenyl)-3-(3-ethoxypropyl)-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.