5K-039
TL;DR: 5K-039 (CAS 478048-38-3) is a chemical compound with molecular formula C17H13F3N4OS2 and molecular weight 410.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[[3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]thiourea
Also Known As: 5K-039, N-[(methylcarbamothioyl)amino]-3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide, N-methyl-2-{[3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]carbonyl}-1-hydrazinecarbothioamide, 1-methyl-3-[[3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]thiourea
| Molecular Formula | C17H13F3N4OS2 |
|---|---|
| Molecular Weight | 410.05 g/mol |
| LogP | 3.7208 |
| Topological Polar Surface Area | 66.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.04828 |
| Heavy Atoms | 27 |
| Complexity | 1002.5763 |
Chemical Identifiers
| CAS Number | 478048-38-3 |
|---|---|
| SMILES | CNC(=S)NNC(=O)C1=C(C2=C(S1)C=C(C=N2)C(F)(F)F)C3=CC=CC=C3 |
Product Overview
5K-039 (CAS 478048-38-3), with molecular formula C17H13F3N4OS2 and molecular weight 410.05 g/mol. IUPAC: 1-methyl-3-[[3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]thiourea.
Chemical Property Profile of 5K-039
Property Insights of 5K-039
The XLogP value of 3.7208 indicates that 5K-039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5K-039. Following Lipinski's Rule of Five, 5K-039 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5K-039?
The CAS number of 5K-039 is 478048-38-3.
What is the molecular formula of 5K-039?
The molecular formula of 5K-039 is C17H13F3N4OS2.
What is the molecular weight of 5K-039?
The molecular weight of 5K-039 is 410.05 g/mol.
Where can I buy 5K-039?
You can request a quote for 5K-039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-039?
Yes, KEHONG BIO provides custom synthesis services for 5K-039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.