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2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline
TL;DR: 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline (CAS 690961-48-9) is a chemical compound with molecular formula C18H15NO2S and molecular weight 309.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methylquinoline
Also Known As: 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methylquinoline, 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-methylquinoline, F1142-6994
| Molecular Formula | C18H15NO2S |
|---|---|
| Molecular Weight | 309.08 g/mol |
| LogP | 4.56422 |
| Topological Polar Surface Area | 31.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.08234 |
| Heavy Atoms | 22 |
| Complexity | 847.6099 |
Chemical Identifiers
| CAS Number | 690961-48-9 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC=C12)SCC3=CC4=C(C=C3)OCO4 |
Product Overview
2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline (CAS 690961-48-9), with molecular formula C18H15NO2S and molecular weight 309.08 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-methylquinoline.
Chemical Property Profile of 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline
Property Insights of 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline
The XLogP value of 4.56422 indicates that 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.35 Ų, 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline?
The CAS number of 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline is 690961-48-9.
What is the molecular formula of 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline?
The molecular formula of 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline is C18H15NO2S.
What is the molecular weight of 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline?
The molecular weight of 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline is 309.08 g/mol.
Where can I buy 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline?
You can request a quote for 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-((Benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.