4N-548S
TL;DR: 4N-548S (CAS 338750-03-1) is a chemical compound with molecular formula C25H17ClFN3OS2 and molecular weight 493.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole
Also Known As: 4N-548S, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole
| Molecular Formula | C25H17ClFN3OS2 |
|---|---|
| Molecular Weight | 493.05 g/mol |
| LogP | 7.5357 |
| Topological Polar Surface Area | 51.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.04855 |
| Heavy Atoms | 33 |
| Complexity | 1352.9606 |
Chemical Identifiers
| CAS Number | 338750-03-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CC4=NN=C(O4)SCC5=C(C=CC=C5Cl)F |
Product Overview
4N-548S (CAS 338750-03-1), with molecular formula C25H17ClFN3OS2 and molecular weight 493.05 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole.
Chemical Property Profile of 4N-548S
Property Insights of 4N-548S
The XLogP value of 7.5357 indicates that 4N-548S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.81 Ų, 4N-548S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4N-548S 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 4N-548S?
The CAS number of 4N-548S is 338750-03-1.
What is the molecular formula of 4N-548S?
The molecular formula of 4N-548S is C25H17ClFN3OS2.
What is the molecular weight of 4N-548S?
The molecular weight of 4N-548S is 493.05 g/mol.
Where can I buy 4N-548S?
You can request a quote for 4N-548S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4N-548S?
Yes, KEHONG BIO provides custom synthesis services for 4N-548S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.