5K-042
TL;DR: 5K-042 (CAS 478048-40-7) is a chemical compound with molecular formula C20H11F3N4S3 and molecular weight 460.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-[3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 5K-042, 4-phenyl-5-[3-(2-thienyl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4H-1,2,4-triazol-3-ylhydrosulfide, 4-phenyl-3-[3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-1H-1,2,4-triazole-5-thione, 4-phenyl-5-[3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C20H11F3N4S3 |
|---|---|
| Molecular Weight | 460.01 g/mol |
| LogP | 6.95389 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.0098 |
| Heavy Atoms | 30 |
| Complexity | 1397.1278 |
Chemical Identifiers
| CAS Number | 478048-40-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)C3=C(C4=C(S3)C=C(C=N4)C(F)(F)F)C5=CC=CS5 |
Product Overview
5K-042 (CAS 478048-40-7), with molecular formula C20H11F3N4S3 and molecular weight 460.01 g/mol. IUPAC: 4-phenyl-3-[3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5K-042
Property Insights of 5K-042
The XLogP value of 6.95389 indicates that 5K-042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5K-042 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-042 has 1 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 5K-042?
The CAS number of 5K-042 is 478048-40-7.
What is the molecular formula of 5K-042?
The molecular formula of 5K-042 is C20H11F3N4S3.
What is the molecular weight of 5K-042?
The molecular weight of 5K-042 is 460.01 g/mol.
Where can I buy 5K-042?
You can request a quote for 5K-042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-042?
Yes, KEHONG BIO provides custom synthesis services for 5K-042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.