5J-538S
TL;DR: 5J-538S (CAS 338955-92-3) is a chemical compound with molecular formula C19H16Cl2N2O2S2 and molecular weight 438.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidine
Also Known As: 5J-538S, 2-[(2,6-dichlorobenzyl)sulfanyl]-5-methoxy-4-[(4-methoxyphenyl)sulfanyl]pyrimidine, 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidine, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-methoxy-4-[(4-methoxyphenyl)sulfanyl]pyrimidine, 2-((2,6-Dichlorobenzyl)thio)-5-methoxy-4-((4-methoxyphenyl)thio)pyrimidine
| Molecular Formula | C19H16Cl2N2O2S2 |
|---|---|
| Molecular Weight | 438.00 g/mol |
| LogP | 6.2441 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.00302 |
| Heavy Atoms | 27 |
| Complexity | 903.83325 |
Chemical Identifiers
| CAS Number | 338955-92-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=NC(=NC=C2OC)SCC3=C(C=CC=C3Cl)Cl |
Product Overview
5J-538S (CAS 338955-92-3), with molecular formula C19H16Cl2N2O2S2 and molecular weight 438.00 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methoxy-4-(4-methoxyphenyl)sulfanylpyrimidine.
Chemical Property Profile of 5J-538S
Property Insights of 5J-538S
The XLogP value of 6.2441 indicates that 5J-538S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.24 Ų, 5J-538S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5J-538S 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 5J-538S?
The CAS number of 5J-538S is 338955-92-3.
What is the molecular formula of 5J-538S?
The molecular formula of 5J-538S is C19H16Cl2N2O2S2.
What is the molecular weight of 5J-538S?
The molecular weight of 5J-538S is 438.00 g/mol.
Where can I buy 5J-538S?
You can request a quote for 5J-538S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5J-538S?
Yes, KEHONG BIO provides custom synthesis services for 5J-538S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.