2N-528S
TL;DR: 2N-528S (CAS 861208-69-7) is a chemical compound with molecular formula C26H17FN4OS3 and molecular weight 516.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-5-[(5-fluoro-1,3-benzothiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
Also Known As: 2N-528S, 2-[({5-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)methyl]-5-fluoro-1,3-benzothiazole, 2-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-5-[(5-fluoro-1,3-benzothiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
| Molecular Formula | C26H17FN4OS3 |
|---|---|
| Molecular Weight | 516.05 g/mol |
| LogP | 7.492 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.0549 |
| Heavy Atoms | 35 |
| Complexity | 1595.2983 |
Chemical Identifiers
| CAS Number | 861208-69-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CC=C3)CC4=NN=C(O4)SCC5=NC6=C(S5)C=CC(=C6)F |
Product Overview
2N-528S (CAS 861208-69-7), with molecular formula C26H17FN4OS3 and molecular weight 516.05 g/mol. IUPAC: 2-[(2,4-diphenyl-1,3-thiazol-5-yl)methyl]-5-[(5-fluoro-1,3-benzothiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole.
Chemical Property Profile of 2N-528S
Property Insights of 2N-528S
The XLogP value of 7.492 indicates that 2N-528S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2N-528S. Following Lipinski's Rule of Five, 2N-528S has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2N-528S?
The CAS number of 2N-528S is 861208-69-7.
What is the molecular formula of 2N-528S?
The molecular formula of 2N-528S is C26H17FN4OS3.
What is the molecular weight of 2N-528S?
The molecular weight of 2N-528S is 516.05 g/mol.
Where can I buy 2N-528S?
You can request a quote for 2N-528S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2N-528S?
Yes, KEHONG BIO provides custom synthesis services for 2N-528S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.