2N-539S
TL;DR: 2N-539S (CAS 338401-66-4) is a chemical compound with molecular formula C25H18ClN3OS2 and molecular weight 475.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole
Also Known As: 2N-539S, 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole, 4-chlorobenzyl 5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-yl sulfide, 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole
| Molecular Formula | C25H18ClN3OS2 |
|---|---|
| Molecular Weight | 475.06 g/mol |
| LogP | 7.3966 |
| Topological Polar Surface Area | 51.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.05798 |
| Heavy Atoms | 32 |
| Complexity | 1302.3091 |
Chemical Identifiers
| CAS Number | 338401-66-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CC4=NN=C(O4)SCC5=CC=C(C=C5)Cl |
Product Overview
2N-539S (CAS 338401-66-4), with molecular formula C25H18ClN3OS2 and molecular weight 475.06 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole.
Chemical Property Profile of 2N-539S
Property Insights of 2N-539S
The XLogP value of 7.3966 indicates that 2N-539S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.81 Ų, 2N-539S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2N-539S 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 2N-539S?
The CAS number of 2N-539S is 338401-66-4.
What is the molecular formula of 2N-539S?
The molecular formula of 2N-539S is C25H18ClN3OS2.
What is the molecular weight of 2N-539S?
The molecular weight of 2N-539S is 475.06 g/mol.
Where can I buy 2N-539S?
You can request a quote for 2N-539S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2N-539S?
Yes, KEHONG BIO provides custom synthesis services for 2N-539S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.