![5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one structure](/static/products/1219/1219392-56-9.webp)
5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
TL;DR: 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one (CAS 1219392-56-9) is a chemical compound with molecular formula C23H19N3O3S and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(1,3-benzodioxol-5-yl)-13-prop-2-enyl-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-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one, 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1a(2),5a(2):1,6]pyrido[3,4-b]indol-1-one
| Molecular Formula | C23H19N3O3S |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 3.5258 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.11472 |
| Heavy Atoms | 30 |
| Complexity | 1233.6564 |
Chemical Identifiers
| CAS Number | 1219392-56-9 |
|---|---|
| SMILES | C=CCN1C(=O)C2CC3=C(C(N2C1=S)C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36 |
Product Overview
5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one (CAS 1219392-56-9), with molecular formula C23H19N3O3S and molecular weight 417.11 g/mol. IUPAC: 10-(1,3-benzodioxol-5-yl)-13-prop-2-enyl-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-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
Property Insights of 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one
The XLogP value of 3.5258 indicates that 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-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. With a topological polar surface area (TPSA) of 57.8 Ų, 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one 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 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one?
The CAS number of 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one is 1219392-56-9.
What is the molecular formula of 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one?
The molecular formula of 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one is C23H19N3O3S.
What is the molecular weight of 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one?
The molecular weight of 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one is 417.11 g/mol.
Where can I buy 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one?
You can request a quote for 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-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-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Benzodioxol-5-yl)-2,3,5,6,11,11a-hexahydro-2-(2-propen-1-yl)-3-thioxo-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.