![(1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate structure](/static/products/1164/1164480-44-7.webp)
(1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate
TL;DR: (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate (CAS 1164480-44-7) is a chemical compound with molecular formula C28H21N3O4S and molecular weight 495.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-9,11,11-trimethyl-3-(5-oxo-2-sulfanylideneimidazol-4-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-6-yl] naphthalene-1-carboxylate
Also Known As: (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate, (Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl 1-naphthoate, 4,4,6-TRIMETHYL-2-OXO-1-(5-OXO-2-THIOXOTETRAHYDRO-4H-IMIDAZOL-4-YLIDEN)-4H-PYRROLO[3,2,1-IJ]QUINOLIN-8(2H)-YL 1-NAPHTHOATE, Naphthalene-1-carboxylic acid 4,4,6-trimethyl-2-oxo-1-[5-oxo-2-thioxo-imidazolidin-(4Z)-ylidene]-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoli n-8-yl ester
| Molecular Formula | C28H21N3O4S |
|---|---|
| Molecular Weight | 495.13 g/mol |
| LogP | 5.0751 |
| Topological Polar Surface Area | 92.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 495.12527 |
| Heavy Atoms | 36 |
| Complexity | 1737.6053 |
Chemical Identifiers
| CAS Number | 1164480-44-7 |
|---|---|
| SMILES | CC1=CC(N2C3=C(C=C(C=C13)OC(=O)C4=CC=CC5=CC=CC=C54)C(=C2O)C6=NC(=S)NC6=O)(C)C |
Product Overview
(1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate (CAS 1164480-44-7), with molecular formula C28H21N3O4S and molecular weight 495.13 g/mol. IUPAC: [2-hydroxy-9,11,11-trimethyl-3-(5-oxo-2-sulfanylideneimidazol-4-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-6-yl] naphthalene-1-carboxylate.
Chemical Property Profile of (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate
Property Insights of (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate
The XLogP value of 5.0751 indicates that (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate. Following Lipinski's Rule of Five, (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate has 2 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 (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate?
The CAS number of (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate is 1164480-44-7.
What is the molecular formula of (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate?
The molecular formula of (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate is C28H21N3O4S.
What is the molecular weight of (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate?
The molecular weight of (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate is 495.13 g/mol.
Where can I buy (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate?
You can request a quote for (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (1Z)-4,4,6-trimethyl-2-oxo-1-(5-oxo-2-thioxoimidazolidin-4-ylidene)-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl naphthalene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.