5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline
TL;DR: 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline (CAS 370573-89-0) is a chemical compound with molecular formula C21H21ClN2O2S2 and molecular weight 432.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-8-ethoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
Also Known As: 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline, (Z)-5-chloro-N-(8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene)-2-methoxyaniline, N-(5-chloro-2-methoxyphenyl)-8-ethoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine, (1Z)-N-(5-CHLORO-2-METHOXYPHENYL)-8-ETHOXY-4,4-DIMETHYL-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-1-IMINE, (1Z)-N-(5-CHLORO-2-METHOXYPHENYL)-8-ETHOXY-4,4-DIMETHYL-5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-1-IMINE
| Molecular Formula | C21H21ClN2O2S2 |
|---|---|
| Molecular Weight | 432.07 g/mol |
| LogP | 6.4303 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.0733 |
| Heavy Atoms | 28 |
| Complexity | 1102.0253 |
Chemical Identifiers
| CAS Number | 370573-89-0 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(C3=C2C(=NC4=C(C=CC(=C4)Cl)OC)SS3)(C)C |
Product Overview
5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline (CAS 370573-89-0), with molecular formula C21H21ClN2O2S2 and molecular weight 432.07 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-8-ethoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine.
Chemical Property Profile of 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline
Property Insights of 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline
The XLogP value of 6.4303 indicates that 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline has 1 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 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline?
The CAS number of 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline is 370573-89-0.
What is the molecular formula of 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline?
The molecular formula of 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline is C21H21ClN2O2S2.
What is the molecular weight of 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline?
The molecular weight of 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline is 432.07 g/mol.
Where can I buy 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline?
You can request a quote for 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-[(1Z)-8-ethoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]-2-methoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.