3-Fluoro-4-(4-pyridinylsulfanyl)aniline
TL;DR: 3-Fluoro-4-(4-pyridinylsulfanyl)aniline (CAS 569658-00-0) is a chemical compound with molecular formula C11H9FN2S and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-4-pyridin-4-ylsulfanylaniline
Also Known As: 3-fluoro-4-(4-pyridinylsulfanyl)aniline, 3-Fluoro-4-(pyridin-4-ylsulfanyl)-phenylamine, 3-fluoro-4-pyridin-4-ylsulfanylaniline, 3-fluoro-4-(4-pyridinylthio)aniline, 3-fluoro-4-(pyridin-4-ylsulfanyl)aniline
| Molecular Formula | C11H9FN2S |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 2.9541 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.04704 |
| Heavy Atoms | 15 |
| Complexity | 459.40002 |
Chemical Identifiers
| CAS Number | 569658-00-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)F)SC2=CC=NC=C2 |
Product Overview
3-Fluoro-4-(4-pyridinylsulfanyl)aniline (CAS 569658-00-0), with molecular formula C11H9FN2S and molecular weight 220.05 g/mol. IUPAC: 3-fluoro-4-pyridin-4-ylsulfanylaniline.
Chemical Property Profile of 3-Fluoro-4-(4-pyridinylsulfanyl)aniline
Property Insights of 3-Fluoro-4-(4-pyridinylsulfanyl)aniline
The XLogP value of 2.9541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-(4-pyridinylsulfanyl)aniline. With a topological polar surface area (TPSA) of 38.91 Ų, 3-Fluoro-4-(4-pyridinylsulfanyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-(4-pyridinylsulfanyl)aniline has 1 hydrogen bond donor(s) and 3 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 3-Fluoro-4-(4-pyridinylsulfanyl)aniline?
The CAS number of 3-Fluoro-4-(4-pyridinylsulfanyl)aniline is 569658-00-0.
What is the molecular formula of 3-Fluoro-4-(4-pyridinylsulfanyl)aniline?
The molecular formula of 3-Fluoro-4-(4-pyridinylsulfanyl)aniline is C11H9FN2S.
What is the molecular weight of 3-Fluoro-4-(4-pyridinylsulfanyl)aniline?
The molecular weight of 3-Fluoro-4-(4-pyridinylsulfanyl)aniline is 220.05 g/mol.
Where can I buy 3-Fluoro-4-(4-pyridinylsulfanyl)aniline?
You can request a quote for 3-Fluoro-4-(4-pyridinylsulfanyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-4-(4-pyridinylsulfanyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-(4-pyridinylsulfanyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.