4-Butylsulfanyl-2-methylquinoline
TL;DR: 4-Butylsulfanyl-2-methylquinoline (CAS 80781-15-3) is a chemical compound with molecular formula C14H17NS and molecular weight 231.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butylsulfanyl-2-methylquinoline
Also Known As: 4-butylsulfanyl-2-methylquinoline, 4-(Butylsulfanyl)-2-methylquinoline
| Molecular Formula | C14H17NS |
|---|---|
| Molecular Weight | 231.11 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.10817 |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 80781-15-3 |
|---|---|
| SMILES | CCCCSC1=CC(=NC2=CC=CC=C21)C |
| InChIKey | FARHOHOZBREWNK-UHFFFAOYSA-N |
Product Overview
4-Butylsulfanyl-2-methylquinoline (CAS 80781-15-3), with molecular formula C14H17NS and molecular weight 231.11 g/mol. IUPAC: 4-butylsulfanyl-2-methylquinoline.
Chemical Property Profile of 4-Butylsulfanyl-2-methylquinoline
Property Insights of 4-Butylsulfanyl-2-methylquinoline
The XLogP value of 4.6 indicates that 4-Butylsulfanyl-2-methylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, 4-Butylsulfanyl-2-methylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butylsulfanyl-2-methylquinoline has 0 hydrogen bond donor(s) and 2 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 4-Butylsulfanyl-2-methylquinoline?
The CAS number of 4-Butylsulfanyl-2-methylquinoline is 80781-15-3.
What is the molecular formula of 4-Butylsulfanyl-2-methylquinoline?
The molecular formula of 4-Butylsulfanyl-2-methylquinoline is C14H17NS.
What is the molecular weight of 4-Butylsulfanyl-2-methylquinoline?
The molecular weight of 4-Butylsulfanyl-2-methylquinoline is 231.11 g/mol.
Where can I buy 4-Butylsulfanyl-2-methylquinoline?
You can request a quote for 4-Butylsulfanyl-2-methylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butylsulfanyl-2-methylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Butylsulfanyl-2-methylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.