4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide
TL;DR: 4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide (CAS 344282-14-0) is a chemical compound with molecular formula C17H13ClN2S and molecular weight 312.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-5-phenylpyrimidine
Also Known As: 4-chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide, 7J-617S, 2-[(4-chlorophenyl)methylsulfanyl]-5-phenylpyrimidine, 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-phenylpyrimidine
| Molecular Formula | C17H13ClN2S |
|---|---|
| Molecular Weight | 312.05 g/mol |
| LogP | 5.0893 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0488 |
| Heavy Atoms | 21 |
| Complexity | 697.1196 |
Chemical Identifiers
| CAS Number | 344282-14-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CN=C(N=C2)SCC3=CC=C(C=C3)Cl |
Product Overview
4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide (CAS 344282-14-0), with molecular formula C17H13ClN2S and molecular weight 312.05 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-5-phenylpyrimidine.
Chemical Property Profile of 4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide
Property Insights of 4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide
The XLogP value of 5.0893 indicates that 4-Chlorobenzyl 5-phenyl-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 5-phenyl-2-pyrimidinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorobenzyl 5-phenyl-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 4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide?
The CAS number of 4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide is 344282-14-0.
What is the molecular formula of 4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide?
The molecular formula of 4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide is C17H13ClN2S.
What is the molecular weight of 4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide?
The molecular weight of 4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide is 312.05 g/mol.
Where can I buy 4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide?
You can request a quote for 4-Chlorobenzyl 5-phenyl-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 5-phenyl-2-pyrimidinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorobenzyl 5-phenyl-2-pyrimidinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.