3P-682S
TL;DR: 3P-682S (CAS 478033-60-2) is a chemical compound with molecular formula C22H15F3N2OS2 and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
Also Known As: 3P-682S, 2-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-oxadiazole, 2-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole, 2-{4H,5H-naphtho[1,2-b]thiophen-2-yl}-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-oxadiazole
| Molecular Formula | C22H15F3N2OS2 |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 6.8748 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.0578 |
| Heavy Atoms | 30 |
| Complexity | 1213.0706 |
Chemical Identifiers
| CAS Number | 478033-60-2 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)SC(=C2)C4=NN=C(O4)SCC5=CC(=CC=C5)C(F)(F)F |
Product Overview
3P-682S (CAS 478033-60-2), with molecular formula C22H15F3N2OS2 and molecular weight 444.06 g/mol. IUPAC: 2-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole.
Chemical Property Profile of 3P-682S
Property Insights of 3P-682S
The XLogP value of 6.8748 indicates that 3P-682S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 3P-682S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3P-682S has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3P-682S?
The CAS number of 3P-682S is 478033-60-2.
What is the molecular formula of 3P-682S?
The molecular formula of 3P-682S is C22H15F3N2OS2.
What is the molecular weight of 3P-682S?
The molecular weight of 3P-682S is 444.06 g/mol.
Where can I buy 3P-682S?
You can request a quote for 3P-682S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3P-682S?
Yes, KEHONG BIO provides custom synthesis services for 3P-682S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.