4N-541S
TL;DR: 4N-541S (CAS 338750-01-9) is a chemical compound with molecular formula C25H17Cl2N3OS2 and molecular weight 509.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole
Also Known As: 4N-541S, 2-[(2,6-dichlorobenzyl)sulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole, 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole
| Molecular Formula | C25H17Cl2N3OS2 |
|---|---|
| Molecular Weight | 509.02 g/mol |
| LogP | 8.05 |
| Topological Polar Surface Area | 51.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.019 |
| Heavy Atoms | 33 |
| Complexity | 1350.9606 |
Chemical Identifiers
| CAS Number | 338750-01-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CC4=NN=C(O4)SCC5=C(C=CC=C5Cl)Cl |
Product Overview
4N-541S (CAS 338750-01-9), with molecular formula C25H17Cl2N3OS2 and molecular weight 509.02 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazole.
Chemical Property Profile of 4N-541S
Property Insights of 4N-541S
The XLogP value of 8.05 indicates that 4N-541S 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-541S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4N-541S 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-541S?
The CAS number of 4N-541S is 338750-01-9.
What is the molecular formula of 4N-541S?
The molecular formula of 4N-541S is C25H17Cl2N3OS2.
What is the molecular weight of 4N-541S?
The molecular weight of 4N-541S is 509.02 g/mol.
Where can I buy 4N-541S?
You can request a quote for 4N-541S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4N-541S?
Yes, KEHONG BIO provides custom synthesis services for 4N-541S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.