2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine
TL;DR: 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine (CAS 338954-52-2) is a chemical compound with molecular formula C13H13Cl2N3OS and molecular weight 329.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-N-methylpyrimidin-4-amine
Also Known As: 5J-301S, 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methoxy-N-methylpyrimidin-4-amine, 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine, 2-[(3,4-dichlorobenzyl)sulfanyl]-5-methoxy-N-methyl-4-pyrimidinamine, 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-N-methylpyrimidin-4-amine
| Molecular Formula | C13H13Cl2N3OS |
|---|---|
| Molecular Weight | 329.02 g/mol |
| LogP | 4.126 |
| Topological Polar Surface Area | 47.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.01562 |
| Heavy Atoms | 20 |
| Complexity | 610.1653 |
Chemical Identifiers
| CAS Number | 338954-52-2 |
|---|---|
| SMILES | CNC1=NC(=NC=C1OC)SCC2=CC(=C(C=C2)Cl)Cl |
Product Overview
2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine (CAS 338954-52-2), with molecular formula C13H13Cl2N3OS and molecular weight 329.02 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-N-methylpyrimidin-4-amine.
Chemical Property Profile of 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine
Property Insights of 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine
The XLogP value of 4.126 indicates that 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.04 Ų, 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine has 1 hydrogen bond donor(s) and 5 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 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine?
The CAS number of 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine is 338954-52-2.
What is the molecular formula of 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine?
The molecular formula of 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine is C13H13Cl2N3OS.
What is the molecular weight of 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine?
The molecular weight of 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine is 329.02 g/mol.
Where can I buy 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine?
You can request a quote for 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,4-Dichlorobenzyl)sulfanyl)-5-methoxy-N-methyl-4-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.