6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine
TL;DR: 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine (CAS 339016-22-7) is a chemical compound with molecular formula C11H9ClFN3S and molecular weight 269.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-(4-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
Also Known As: 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine, 6-chloro-N-(4-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine, J1.988.466J, 7L-842, 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)pyrimidin-4-amine
| Molecular Formula | C11H9ClFN3S |
|---|---|
| Molecular Weight | 269.02 g/mol |
| LogP | 3.7346 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.01898 |
| Heavy Atoms | 17 |
| Complexity | 518.62506 |
Chemical Identifiers
| CAS Number | 339016-22-7 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)Cl)NC2=CC=C(C=C2)F |
Product Overview
6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine (CAS 339016-22-7), with molecular formula C11H9ClFN3S and molecular weight 269.02 g/mol. IUPAC: 6-chloro-N-(4-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine.
Chemical Property Profile of 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine
Property Insights of 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine
The XLogP value of 3.7346 indicates that 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine has 1 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 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine?
The CAS number of 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine is 339016-22-7.
What is the molecular formula of 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine?
The molecular formula of 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine is C11H9ClFN3S.
What is the molecular weight of 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine?
The molecular weight of 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine is 269.02 g/mol.
Where can I buy 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine?
You can request a quote for 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N-(4-fluorophenyl)-2-(methylsulfanyl)-4-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.