![Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate structure](/static/products/956/956944-40-4.png)
Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate
TL;DR: Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate (CAS 956944-40-4) is a chemical compound with molecular formula C28H23N3O4 and molecular weight 465.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(12,14-dioxo-10-phenyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl)benzoate
Also Known As: Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate, ethyl 4-(1,3-dioxo-5-phenyl-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate
| Molecular Formula | C28H23N3O4 |
|---|---|
| Molecular Weight | 465.17 g/mol |
| LogP | 4.8275 |
| Topological Polar Surface Area | 82.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.16885 |
| Heavy Atoms | 35 |
| Complexity | 1458.8562 |
Chemical Identifiers
| CAS Number | 956944-40-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC4=C(C(N3C2=O)C5=CC=CC=C5)NC6=CC=CC=C46 |
Product Overview
Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate (CAS 956944-40-4), with molecular formula C28H23N3O4 and molecular weight 465.17 g/mol. IUPAC: ethyl 4-(12,14-dioxo-10-phenyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl)benzoate.
Chemical Property Profile of Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate
Property Insights of Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate
The XLogP value of 4.8275 indicates that Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate has 1 hydrogen bond donor(s) and 4 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-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate?
The CAS number of Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate is 956944-40-4.
What is the molecular formula of Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate?
The molecular formula of Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate is C28H23N3O4.
What is the molecular weight of Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate?
The molecular weight of Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate is 465.17 g/mol.
Where can I buy Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate?
You can request a quote for Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-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-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((11aS)-1,3-dioxo-5-phenyl-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.