![1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate structure](/static/products/774/774561-59-0.png)
1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate
TL;DR: 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate (CAS 774561-59-0) is a chemical compound with molecular formula C25H30N2O4S and molecular weight 454.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-6-methoxy-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl] ethanimidothioate
Also Known As: 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate, 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate
| Molecular Formula | C25H30N2O4S |
|---|---|
| Molecular Weight | 454.19 g/mol |
| LogP | 5.36417 |
| Topological Polar Surface Area | 90.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 454.19263 |
| Heavy Atoms | 32 |
| Complexity | 1144.8412 |
Chemical Identifiers
| CAS Number | 774561-59-0 |
|---|---|
| SMILES | CC1=CC(N2C3=C1C=C(C=C3C(C2=O)(C4=C(CC(CC4=O)(C)C)O)SC(=N)C)OC)(C)C |
Product Overview
1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate (CAS 774561-59-0), with molecular formula C25H30N2O4S and molecular weight 454.19 g/mol. IUPAC: [3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-6-methoxy-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl] ethanimidothioate.
Chemical Property Profile of 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate
Property Insights of 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate
The XLogP value of 5.36417 indicates that 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate. Following Lipinski's Rule of Five, 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate?
The CAS number of 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate is 774561-59-0.
What is the molecular formula of 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate?
The molecular formula of 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate is C25H30N2O4S.
What is the molecular weight of 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate?
The molecular weight of 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate is 454.19 g/mol.
Where can I buy 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate?
You can request a quote for 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-8-methoxy-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl ethanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.