6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine
TL;DR: 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine (CAS 478258-44-5) is a chemical compound with molecular formula C12H12ClN3S and molecular weight 265.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-N-methyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine
Also Known As: 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine, 6-chloro-N-methyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine, 8P-818, 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenylpyrimidin-4-amine
| Molecular Formula | C12H12ClN3S |
|---|---|
| Molecular Weight | 265.04 g/mol |
| LogP | 3.6198 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.04404 |
| Heavy Atoms | 17 |
| Complexity | 504.35886 |
Chemical Identifiers
| CAS Number | 478258-44-5 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C2=CC(=NC(=N2)SC)Cl |
Product Overview
6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine (CAS 478258-44-5), with molecular formula C12H12ClN3S and molecular weight 265.04 g/mol. IUPAC: 6-chloro-N-methyl-2-methylsulfanyl-N-phenylpyrimidin-4-amine.
Chemical Property Profile of 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine
Property Insights of 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine
The XLogP value of 3.6198 indicates that 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine 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 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine?
The CAS number of 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine is 478258-44-5.
What is the molecular formula of 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine?
The molecular formula of 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine is C12H12ClN3S.
What is the molecular weight of 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine?
The molecular weight of 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine is 265.04 g/mol.
Where can I buy 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine?
You can request a quote for 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-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-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-N-methyl-2-(methylsulfanyl)-N-phenyl-4-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.