4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide
TL;DR: 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide (CAS 676590-65-1) is a chemical compound with molecular formula C12H11ClN2S and molecular weight 250.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-4-methylpyrimidine
Also Known As: 4-chlorobenzyl 4-methyl-2-pyrimidinyl sulfide, 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-methylpyrimidine, 2-[(4-chlorophenyl)methylsulfanyl]-4-methylpyrimidine, 6W-0839, 2-[(4-chlorophenyl)methylsulfanyl]-4-methyl-pyrimidine
| Molecular Formula | C12H11ClN2S |
|---|---|
| Molecular Weight | 250.03 g/mol |
| LogP | 3.73072 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.03314 |
| Heavy Atoms | 16 |
| Complexity | 470.69992 |
Chemical Identifiers
| CAS Number | 676590-65-1 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC2=CC=C(C=C2)Cl |
Product Overview
4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide (CAS 676590-65-1), with molecular formula C12H11ClN2S and molecular weight 250.03 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-4-methylpyrimidine.
Chemical Property Profile of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide
Property Insights of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide
The XLogP value of 3.73072 indicates that 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide has 0 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 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide?
The CAS number of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide is 676590-65-1.
What is the molecular formula of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide?
The molecular formula of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide is C12H11ClN2S.
What is the molecular weight of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide?
The molecular weight of 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide is 250.03 g/mol.
Where can I buy 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide?
You can request a quote for 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl 4-methyl-2-pyrimidinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.