NPE610
TL;DR: NPE610 (CAS 477887-90-4) is a chemical compound with molecular formula C24H20F3N3S2 and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
Also Known As: NPE610, 2P-647S, 3-(4,5-dihydronaphtho[1,2-b]thiophen-2-yl)-4-ethyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole, 3-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole, 4-ethyl-3-{4H,5H-naphtho[1,2-b]thiophen-2-yl}-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
| Molecular Formula | C24H20F3N3S2 |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 7.1032 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.10507 |
| Heavy Atoms | 32 |
| Complexity | 1273.7328 |
Chemical Identifiers
| CAS Number | 477887-90-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3=CC4=C(S3)C5=CC=CC=C5CC4 |
Product Overview
NPE610 (CAS 477887-90-4), with molecular formula C24H20F3N3S2 and molecular weight 471.11 g/mol. IUPAC: 3-(4,5-dihydrobenzo[g][1]benzothiol-2-yl)-4-ethyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of NPE610
Property Insights of NPE610
The XLogP value of 7.1032 indicates that NPE610 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, NPE610 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NPE610 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NPE610?
The CAS number of NPE610 is 477887-90-4.
What is the molecular formula of NPE610?
The molecular formula of NPE610 is C24H20F3N3S2.
What is the molecular weight of NPE610?
The molecular weight of NPE610 is 471.11 g/mol.
Where can I buy NPE610?
You can request a quote for NPE610 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NPE610?
Yes, KEHONG BIO provides custom synthesis services for NPE610 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.