4J-328S
TL;DR: 4J-328S (CAS 338423-12-4) is a chemical compound with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidine
Also Known As: 4J-328S, 2-((4-Chlorobenzyl)sulfanyl)-4-((4-methoxyphenyl)sulfanyl)-5-pyrimidinyl methyl ether, 2-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidine, 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-4-[(4-methoxyphenyl)sulfanyl]pyrimidine, 2-[(4-chlorobenzyl)sulfanyl]-4-[(4-methoxyphenyl)sulfanyl]-5-pyrimidinyl methyl ether
| Molecular Formula | C19H17ClN2O2S2 |
|---|---|
| Molecular Weight | 404.04 g/mol |
| LogP | 5.5907 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.042 |
| Heavy Atoms | 26 |
| Complexity | 858.418 |
Chemical Identifiers
| CAS Number | 338423-12-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=NC(=NC=C2OC)SCC3=CC=C(C=C3)Cl |
Product Overview
4J-328S (CAS 338423-12-4), with molecular formula C19H17ClN2O2S2 and molecular weight 404.04 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidine.
Chemical Property Profile of 4J-328S
Property Insights of 4J-328S
The XLogP value of 5.5907 indicates that 4J-328S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 4J-328S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-328S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4J-328S?
The CAS number of 4J-328S is 338423-12-4.
What is the molecular formula of 4J-328S?
The molecular formula of 4J-328S is C19H17ClN2O2S2.
What is the molecular weight of 4J-328S?
The molecular weight of 4J-328S is 404.04 g/mol.
Where can I buy 4J-328S?
You can request a quote for 4J-328S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-328S?
Yes, KEHONG BIO provides custom synthesis services for 4J-328S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.