3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
TL;DR: 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline (CAS 328071-53-0) is a chemical compound with molecular formula C19H17FN2OS2 and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine
Also Known As: 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline, N-(3-fluorophenyl)-8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine, (1Z)-N-(3-FLUOROPHENYL)-8-METHOXY-4,4-DIMETHYL-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-1-IMINE, (1Z)-N-(3-FLUOROPHENYL)-8-METHOXY-4,4-DIMETHYL-5H-[1,2]DITHIOLO[3,4-C]QUINOLIN-1-IMINE, (3-fluorophenyl)[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]amine
| Molecular Formula | C19H17FN2OS2 |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 5.5173 |
| Topological Polar Surface Area | 33.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.07663 |
| Heavy Atoms | 25 |
| Complexity | 1020.2587 |
Chemical Identifiers
| CAS Number | 328071-53-0 |
|---|---|
| SMILES | CC1(C2=C(C3=C(N1)C=CC(=C3)OC)C(=NC4=CC(=CC=C4)F)SS2)C |
Product Overview
3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline (CAS 328071-53-0), with molecular formula C19H17FN2OS2 and molecular weight 372.08 g/mol. IUPAC: N-(3-fluorophenyl)-8-methoxy-4,4-dimethyl-5H-dithiolo[3,4-c]quinolin-1-imine.
Chemical Property Profile of 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
Property Insights of 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline
The XLogP value of 5.5173 indicates that 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.62 Ų, 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline has 1 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 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline?
The CAS number of 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline is 328071-53-0.
What is the molecular formula of 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline?
The molecular formula of 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline is C19H17FN2OS2.
What is the molecular weight of 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline?
The molecular weight of 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline is 372.08 g/mol.
Where can I buy 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline?
You can request a quote for 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-fluoro-N-[(1Z)-8-methoxy-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinolin-1-ylidene]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.