3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide
TL;DR: 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide (CAS 344281-86-3) is a chemical compound with molecular formula C17H12Cl2N2S and molecular weight 346.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]pyrimidine
Also Known As: 7J-603S, 3-chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide, 5-(4-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidine, 5-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]pyrimidine
| Molecular Formula | C17H12Cl2N2S |
|---|---|
| Molecular Weight | 346.01 g/mol |
| LogP | 5.7427 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.00983 |
| Heavy Atoms | 22 |
| Complexity | 758.37256 |
Chemical Identifiers
| CAS Number | 344281-86-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CSC2=NC=C(C=N2)C3=CC=C(C=C3)Cl |
Product Overview
3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide (CAS 344281-86-3), with molecular formula C17H12Cl2N2S and molecular weight 346.01 g/mol. IUPAC: 5-(4-chlorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]pyrimidine.
Chemical Property Profile of 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide
Property Insights of 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide
The XLogP value of 5.7427 indicates that 3-Chlorobenzyl 5-(4-chlorophenyl)-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, 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide?
The CAS number of 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide is 344281-86-3.
What is the molecular formula of 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide?
The molecular formula of 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide is C17H12Cl2N2S.
What is the molecular weight of 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide?
The molecular weight of 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide is 346.01 g/mol.
Where can I buy 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide?
You can request a quote for 3-Chlorobenzyl 5-(4-chlorophenyl)-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 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chlorobenzyl 5-(4-chlorophenyl)-2-pyrimidinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.