![5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one structure](/static/products/450/450369-59-2.png)
5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
TL;DR: 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one (CAS 450369-59-2) is a chemical compound with molecular formula C29H27N3O4S and molecular weight 513.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3,4-dimethoxyphenyl)-13-(4-ethoxyphenyl)-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one
Also Known As: 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
| Molecular Formula | C29H27N3O4S |
|---|---|
| Molecular Weight | 513.17 g/mol |
| LogP | 5.2316 |
| Topological Polar Surface Area | 67.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.17224 |
| Heavy Atoms | 37 |
| Complexity | 1513.6227 |
Chemical Identifiers
| CAS Number | 450369-59-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3CC4=C(C(N3C2=S)C5=CC(=C(C=C5)OC)OC)NC6=CC=CC=C46 |
Product Overview
5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one (CAS 450369-59-2), with molecular formula C29H27N3O4S and molecular weight 513.17 g/mol. IUPAC: 10-(3,4-dimethoxyphenyl)-13-(4-ethoxyphenyl)-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one.
Chemical Property Profile of 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Property Insights of 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
The XLogP value of 5.2316 indicates that 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one. Following Lipinski's Rule of Five, 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one has 1 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 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one?
The CAS number of 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one is 450369-59-2.
What is the molecular formula of 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one?
The molecular formula of 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one is C29H27N3O4S.
What is the molecular weight of 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one?
The molecular weight of 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one is 513.17 g/mol.
Where can I buy 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one?
You can request a quote for 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-3-thioxo-2,3,5,6,11,11a-hexahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.