5K-038
TL;DR: 5K-038 (CAS 478048-37-2) is a chemical compound with molecular formula C20H13F3N4OS3 and molecular weight 478.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-[[3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]thiourea
Also Known As: 5K-038, N-phenyl-2-{[3-(2-thienyl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]carbonyl}-1-hydrazinecarbothioamide, 1-phenyl-3-[[3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]thiourea, N-[(phenylcarbamothioyl)amino]-3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxamide
| Molecular Formula | C20H13F3N4OS3 |
|---|---|
| Molecular Weight | 478.02 g/mol |
| LogP | 5.675 |
| Topological Polar Surface Area | 66.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.02036 |
| Heavy Atoms | 31 |
| Complexity | 1238.034 |
Chemical Identifiers
| CAS Number | 478048-37-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=C(S2)C=C(C=N3)C(F)(F)F)C4=CC=CS4 |
Product Overview
5K-038 (CAS 478048-37-2), with molecular formula C20H13F3N4OS3 and molecular weight 478.02 g/mol. IUPAC: 1-phenyl-3-[[3-thiophen-2-yl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]thiourea.
Chemical Property Profile of 5K-038
Property Insights of 5K-038
The XLogP value of 5.675 indicates that 5K-038 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-038. Following Lipinski's Rule of Five, 5K-038 has 3 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-038?
The CAS number of 5K-038 is 478048-37-2.
What is the molecular formula of 5K-038?
The molecular formula of 5K-038 is C20H13F3N4OS3.
What is the molecular weight of 5K-038?
The molecular weight of 5K-038 is 478.02 g/mol.
Where can I buy 5K-038?
You can request a quote for 5K-038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-038?
Yes, KEHONG BIO provides custom synthesis services for 5K-038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.