4-(Tert-butylthio)-7-chloroquinoline
TL;DR: 4-(Tert-butylthio)-7-chloroquinoline (CAS 1210-47-5) is a chemical compound with molecular formula C13H14ClNS and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butylsulfanyl-7-chloroquinoline
Also Known As: 4-(tert-butylthio)-7-chloroquinoline, BIDD:GT0309, 4-tert-butylsulfanyl-7-chloroquinoline, 4-(tert-Butylsulfanyl)-7-chloroquinoline, 7-chloro-4-tert-butylsulfanyl-quinoline
| Molecular Formula | C13H14ClNS |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 4.7788 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.05354 |
| Heavy Atoms | 16 |
| Complexity | 516.81177 |
Chemical Identifiers
| CAS Number | 1210-47-5 |
|---|---|
| SMILES | CC(C)(C)SC1=C2C=CC(=CC2=NC=C1)Cl |
Product Overview
4-(Tert-butylthio)-7-chloroquinoline (CAS 1210-47-5), with molecular formula C13H14ClNS and molecular weight 251.05 g/mol. IUPAC: 4-tert-butylsulfanyl-7-chloroquinoline.
Chemical Property Profile of 4-(Tert-butylthio)-7-chloroquinoline
Property Insights of 4-(Tert-butylthio)-7-chloroquinoline
The XLogP value of 4.7788 indicates that 4-(Tert-butylthio)-7-chloroquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 4-(Tert-butylthio)-7-chloroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Tert-butylthio)-7-chloroquinoline 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-(Tert-butylthio)-7-chloroquinoline?
The CAS number of 4-(Tert-butylthio)-7-chloroquinoline is 1210-47-5.
What is the molecular formula of 4-(Tert-butylthio)-7-chloroquinoline?
The molecular formula of 4-(Tert-butylthio)-7-chloroquinoline is C13H14ClNS.
What is the molecular weight of 4-(Tert-butylthio)-7-chloroquinoline?
The molecular weight of 4-(Tert-butylthio)-7-chloroquinoline is 251.05 g/mol.
Where can I buy 4-(Tert-butylthio)-7-chloroquinoline?
You can request a quote for 4-(Tert-butylthio)-7-chloroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Tert-butylthio)-7-chloroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Tert-butylthio)-7-chloroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.