![(1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone structure](/static/products/5226/522659-87-6.webp)
(1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone
TL;DR: (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone (CAS 522659-87-6) is a chemical compound with molecular formula C16H18N4OS and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea
Also Known As: (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone, (1E)-4,4,6,8-Tetramethyl-4H-pyrrolo[3,2,1-ij]-quinoline-1,2-dione 1-thiosemicarbazone, (2-hydroxy-6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea, hydrazinecarbothioamide, 2-(4,4,6,8-tetramethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-, (2E)-, (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione1-thiosemicarbazone
| Molecular Formula | C16H18N4OS |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.12012 |
| Heavy Atoms | 22 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 522659-87-6 |
|---|---|
| SMILES | CC1=CC2=C3C(=C1)C(=CC(N3C(=C2N=NC(=S)N)O)(C)C)C |
| InChIKey | YLYYQECETGLXLP-UHFFFAOYSA-N |
Product Overview
(1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone (CAS 522659-87-6), with molecular formula C16H18N4OS and molecular weight 314.12 g/mol. IUPAC: (2-hydroxy-6,9,11,11-tetramethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)iminothiourea.
Chemical Property Profile of (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone
Property Insights of (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone
The XLogP value of 3.3 indicates that (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone. Following Lipinski's Rule of Five, (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone has 2 hydrogen bond donor(s) and 3 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 (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone?
The CAS number of (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone is 522659-87-6.
What is the molecular formula of (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone?
The molecular formula of (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone is C16H18N4OS.
What is the molecular weight of (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone?
The molecular weight of (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone is 314.12 g/mol.
Where can I buy (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone?
You can request a quote for (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for (1E)-4,4,6,8-tetramethyl-4H-pyrrolo[3,2,1-ij]quinoline-1,2-dione 1-thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.