5K-049
TL;DR: 5K-049 (CAS 478048-42-9) is a chemical compound with molecular formula C21H13F3N4S3 and molecular weight 474.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine
Also Known As: 5K-049, 2-[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]-3-(2-thienyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine, 2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine, 3-(methylsulfanyl)-4-phenyl-5-[3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4H-1,2,4-triazole
| Molecular Formula | C21H13F3N4S3 |
|---|---|
| Molecular Weight | 474.03 g/mol |
| LogP | 7.0132 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.02545 |
| Heavy Atoms | 31 |
| Complexity | 1356.3109 |
Chemical Identifiers
| CAS Number | 478048-42-9 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=CC=C2)C3=C(C4=C(S3)C=C(C=N4)C(F)(F)F)C5=CC=CS5 |
Product Overview
5K-049 (CAS 478048-42-9), with molecular formula C21H13F3N4S3 and molecular weight 474.03 g/mol. IUPAC: 2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine.
Chemical Property Profile of 5K-049
Property Insights of 5K-049
The XLogP value of 7.0132 indicates that 5K-049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 5K-049 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-049 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 5K-049?
The CAS number of 5K-049 is 478048-42-9.
What is the molecular formula of 5K-049?
The molecular formula of 5K-049 is C21H13F3N4S3.
What is the molecular weight of 5K-049?
The molecular weight of 5K-049 is 474.03 g/mol.
Where can I buy 5K-049?
You can request a quote for 5K-049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-049?
Yes, KEHONG BIO provides custom synthesis services for 5K-049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.