4-(Benzylthio)-6-fluorocinnoline
TL;DR: 4-(Benzylthio)-6-fluorocinnoline (CAS 37528-68-0) is a chemical compound with molecular formula C15H11FN2S and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanyl-6-fluorocinnoline
Also Known As: 4-(Benzylthio)-6-fluorocinnoline, 4-benzylsulfanyl-6-fluorocinnoline, 4-Benzylthio-6-fluorocinnoline, HD pathogenesis inhibitor CP6, 6-Fluor-4-benzylmercapto-cinnolin
| Molecular Formula | C15H11FN2S |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.06268 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 37528-68-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CN=NC3=C2C=C(C=C3)F |
| InChIKey | MVOOIFIABJDQGI-UHFFFAOYSA-N |
Product Overview
4-(Benzylthio)-6-fluorocinnoline (CAS 37528-68-0), with molecular formula C15H11FN2S and molecular weight 270.06 g/mol. IUPAC: 4-benzylsulfanyl-6-fluorocinnoline.
Chemical Property Profile of 4-(Benzylthio)-6-fluorocinnoline
Property Insights of 4-(Benzylthio)-6-fluorocinnoline
The XLogP value of 3.3 indicates that 4-(Benzylthio)-6-fluorocinnoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 4-(Benzylthio)-6-fluorocinnoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzylthio)-6-fluorocinnoline 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 4-(Benzylthio)-6-fluorocinnoline?
The CAS number of 4-(Benzylthio)-6-fluorocinnoline is 37528-68-0.
What is the molecular formula of 4-(Benzylthio)-6-fluorocinnoline?
The molecular formula of 4-(Benzylthio)-6-fluorocinnoline is C15H11FN2S.
What is the molecular weight of 4-(Benzylthio)-6-fluorocinnoline?
The molecular weight of 4-(Benzylthio)-6-fluorocinnoline is 270.06 g/mol.
Where can I buy 4-(Benzylthio)-6-fluorocinnoline?
You can request a quote for 4-(Benzylthio)-6-fluorocinnoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylthio)-6-fluorocinnoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylthio)-6-fluorocinnoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.