![Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate structure](/static/products/956/956439-23-9.png)
Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate
TL;DR: Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate (CAS 956439-23-9) is a chemical compound with molecular formula C24H23N3O4 and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(10,10-dimethyl-12,14-dioxo-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 (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate, ethyl 4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate, Ethyl 4-[(15S)-10,10-dimethyl-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]benzoate
| Molecular Formula | C24H23N3O4 |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | 3.9732 |
| Topological Polar Surface Area | 82.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.16885 |
| Heavy Atoms | 31 |
| Complexity | 1225.3552 |
Chemical Identifiers
| CAS Number | 956439-23-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC4=C(C(N3C2=O)(C)C)NC5=CC=CC=C45 |
Product Overview
Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate (CAS 956439-23-9), with molecular formula C24H23N3O4 and molecular weight 417.17 g/mol. IUPAC: ethyl 4-(10,10-dimethyl-12,14-dioxo-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 (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate
Property Insights of Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate
The XLogP value of 3.9732 indicates that Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-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 (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate. Following Lipinski's Rule of Five, Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-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 (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate?
The CAS number of Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate is 956439-23-9.
What is the molecular formula of Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate?
The molecular formula of Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate is C24H23N3O4.
What is the molecular weight of Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate?
The molecular weight of Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate is 417.17 g/mol.
Where can I buy Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate?
You can request a quote for Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-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 (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (S)-4-(5,5-dimethyl-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.