![(1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate structure](/static/products/5240/524055-99-0.webp)
(1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate
TL;DR: (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate (CAS 524055-99-0) is a chemical compound with molecular formula C22H19BrN4O3S and molecular weight 498.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(carbamothioyldiazenyl)-2-hydroxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-6-yl] 2-bromobenzoate
Also Known As: (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate, (E)-1-(2-carbamothioylhydrazono)-4,4,6-trimethyl-2-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate, 1-[2-(AMINOCARBOTHIOYL)HYDRAZONO]-4,4,6-TRIMETHYL-2-OXO-1,2-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-8-YL 2-BROMOBENZOATE
| Molecular Formula | C22H19BrN4O3S |
|---|---|
| Molecular Weight | 498.04 g/mol |
| LogP | 5.8079 |
| Topological Polar Surface Area | 102.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.03613 |
| Heavy Atoms | 31 |
| Complexity | 1324.0275 |
Chemical Identifiers
| CAS Number | 524055-99-0 |
|---|---|
| SMILES | CC1=CC(N2C3=C(C=C(C=C13)OC(=O)C4=CC=CC=C4Br)C(=C2O)N=NC(=S)N)(C)C |
Product Overview
(1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate (CAS 524055-99-0), with molecular formula C22H19BrN4O3S and molecular weight 498.04 g/mol. IUPAC: [3-(carbamothioyldiazenyl)-2-hydroxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-6-yl] 2-bromobenzoate.
Chemical Property Profile of (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate
Property Insights of (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate
The XLogP value of 5.8079 indicates that (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate. Following Lipinski's Rule of Five, (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate 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 (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate?
The CAS number of (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate is 524055-99-0.
What is the molecular formula of (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate?
The molecular formula of (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate is C22H19BrN4O3S.
What is the molecular weight of (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate?
The molecular weight of (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate is 498.04 g/mol.
Where can I buy (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate?
You can request a quote for (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (1E)-1-(2-carbamothioylhydrazinylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.