5K-926
TL;DR: 5K-926 (CAS 338959-69-6) is a chemical compound with molecular formula C20H18ClF3N6S and molecular weight 466.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-cyano-N-phenylprop-2-enethioamide
Also Known As: 5K-926, (2E)-3-amino-3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-cyano-N-phenylprop-2-enethioamide, (E)-3-amino-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-cyano-N-phenylprop-2-enethioamide, 3-Amino-3-(4-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)piperazino)-2-cyano-n-phenyl-2-propenethioamide, 3-amino-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyano-N-phenyl-2-propenethioamide
| Molecular Formula | C20H18ClF3N6S |
|---|---|
| Molecular Weight | 466.10 g/mol |
| LogP | 4.00918 |
| Topological Polar Surface Area | 81.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.09543 |
| Heavy Atoms | 31 |
| Complexity | 1027.446 |
Chemical Identifiers
| CAS Number | 338959-69-6 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=N2)C(F)(F)F)Cl)/C(=C(\C#N)/C(=S)NC3=CC=CC=C3)/N |
Product Overview
5K-926 (CAS 338959-69-6), with molecular formula C20H18ClF3N6S and molecular weight 466.10 g/mol. IUPAC: (E)-3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-cyano-N-phenylprop-2-enethioamide.
Chemical Property Profile of 5K-926
Property Insights of 5K-926
The XLogP value of 4.00918 indicates that 5K-926 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 5K-926. Following Lipinski's Rule of Five, 5K-926 has 2 hydrogen bond donor(s) and 6 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-926?
The CAS number of 5K-926 is 338959-69-6.
What is the molecular formula of 5K-926?
The molecular formula of 5K-926 is C20H18ClF3N6S.
What is the molecular weight of 5K-926?
The molecular weight of 5K-926 is 466.10 g/mol.
Where can I buy 5K-926?
You can request a quote for 5K-926 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-926?
Yes, KEHONG BIO provides custom synthesis services for 5K-926 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.