4M-533S
TL;DR: 4M-533S (CAS 338747-96-9) is a chemical compound with molecular formula C13H13ClN2OS2 and molecular weight 312.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-methylsulfanylpyrimidine
Also Known As: 4M-533S, [6-[(4-chlorophenyl)sulfanyl]-2-(methylsulfanyl)-4-pyrimidinyl]methyl methyl ether, 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-methylsulfanylpyrimidine, 4-[(4-chlorophenyl)sulfanyl]-6-(methoxymethyl)-2-(methylsulfanyl)pyrimidine
| Molecular Formula | C13H13ClN2OS2 |
|---|---|
| Molecular Weight | 312.02 g/mol |
| LogP | 4.1495 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.01578 |
| Heavy Atoms | 19 |
| Complexity | 548.83954 |
Chemical Identifiers
| CAS Number | 338747-96-9 |
|---|---|
| SMILES | COCC1=CC(=NC(=N1)SC)SC2=CC=C(C=C2)Cl |
Product Overview
4M-533S (CAS 338747-96-9), with molecular formula C13H13ClN2OS2 and molecular weight 312.02 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-methylsulfanylpyrimidine.
Chemical Property Profile of 4M-533S
Property Insights of 4M-533S
The XLogP value of 4.1495 indicates that 4M-533S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 4M-533S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4M-533S has 0 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 4M-533S?
The CAS number of 4M-533S is 338747-96-9.
What is the molecular formula of 4M-533S?
The molecular formula of 4M-533S is C13H13ClN2OS2.
What is the molecular weight of 4M-533S?
The molecular weight of 4M-533S is 312.02 g/mol.
Where can I buy 4M-533S?
You can request a quote for 4M-533S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4M-533S?
Yes, KEHONG BIO provides custom synthesis services for 4M-533S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.