![2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE structure](/static/products/852/852536-91-5.png)
2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE
TL;DR: 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE (CAS 852536-91-5) is a chemical compound with molecular formula C19H13ClF3NO3S and molecular weight 427.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7-methoxy-4-(trifluoromethyl)quinoline
Also Known As: 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE, 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7-methoxy-4-(trifluoromethyl)quinoline, 2-[(6-chlorobenzo[1,3]dioxol-5-yl)methylsulfanyl]-7-methoxy-4-(trifluoromethyl)quinoline, 2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-7-methoxy-4-(trifluoromethyl)quinoline, 2-[(6-chloro(2H-benzo[d]1,3-dioxolen-5-yl))methylthio]-7-methoxy-4-(trifluorom ethyl)quinoline
| Molecular Formula | C19H13ClF3NO3S |
|---|---|
| Molecular Weight | 427.03 g/mol |
| LogP | 5.9366 |
| Topological Polar Surface Area | 40.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.02567 |
| Heavy Atoms | 28 |
| Complexity | 1058.7538 |
Chemical Identifiers
| CAS Number | 852536-91-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=CC4=C(C=C3Cl)OCO4)C(F)(F)F |
Product Overview
2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE (CAS 852536-91-5), with molecular formula C19H13ClF3NO3S and molecular weight 427.03 g/mol. IUPAC: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-7-methoxy-4-(trifluoromethyl)quinoline.
Chemical Property Profile of 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE
Property Insights of 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE
The XLogP value of 5.9366 indicates that 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.58 Ų, 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE has 0 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 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE?
The CAS number of 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE is 852536-91-5.
What is the molecular formula of 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE?
The molecular formula of 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE is C19H13ClF3NO3S.
What is the molecular weight of 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE?
The molecular weight of 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE is 427.03 g/mol.
Where can I buy 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE?
You can request a quote for 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(6-CHLORO-2H-1,3-BENZODIOXOL-5-YL)METHYL]SULFANYL}-7-METHOXY-4-(TRIFLUOROMETHYL)QUINOLINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.