![(2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide structure](/static/products/7247/724778-77-2.webp)
(2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide
TL;DR: (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide (CAS 724778-77-2) is a chemical compound with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)imino]-3-phenylthiourea
Also Known As: (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide, (E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-1-ylidene)-N-phenylhydrazinecarbothioamide, 2-[8-METHOXY-4,4,6-TRIMETHYL-2-OXO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-1(2H)-YLIDEN]-N~1~-PHENYL-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C22H22N4O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 5.9882 |
| Topological Polar Surface Area | 71.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.14636 |
| Heavy Atoms | 29 |
| Complexity | 1176.7356 |
Chemical Identifiers
| CAS Number | 724778-77-2 |
|---|---|
| SMILES | CC1=CC(N2C3=C(C=C(C=C13)OC)C(=C2O)N=NC(=S)NC4=CC=CC=C4)(C)C |
Product Overview
(2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide (CAS 724778-77-2), with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol. IUPAC: 1-[(2-hydroxy-6-methoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,9-pentaen-3-yl)imino]-3-phenylthiourea.
Chemical Property Profile of (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide
Property Insights of (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide
The XLogP value of 5.9882 indicates that (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide. Following Lipinski's Rule of Five, (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide?
The CAS number of (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide is 724778-77-2.
What is the molecular formula of (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide?
The molecular formula of (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide is C22H22N4O2S.
What is the molecular weight of (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide?
The molecular weight of (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide is 406.15 g/mol.
Where can I buy (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide?
You can request a quote for (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(8-methoxy-4,4,6-trimethyl-2-oxo-4H-pyrrolo[3,2,1-ij]quinolin-1(2H)-ylidene)-N-phenylhydrazinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.