4M-031
TL;DR: 4M-031 (CAS 318255-90-2) is a chemical compound with molecular formula C18H10ClF3N4S and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole
Also Known As: 4M-031, 3-Chloro-2-(3-(2-phenyl-1,3-thiazol-5-yl)-1H-pyrazol-1-yl)-5-(trifluoromethyl)pyridine, 3-chloro-2-[3-(2-phenyl-1,3-thiazol-5-yl)-1H-pyrazol-1-yl]-5-(trifluoromethyl)pyridine, 5-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]-2-phenyl-1,3-thiazole
| Molecular Formula | C18H10ClF3N4S |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 5.73 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.02667 |
| Heavy Atoms | 27 |
| Complexity | 1089.4423 |
Chemical Identifiers
| CAS Number | 318255-90-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC=C(S2)C3=NN(C=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
4M-031 (CAS 318255-90-2), with molecular formula C18H10ClF3N4S and molecular weight 406.03 g/mol. IUPAC: 5-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]-2-phenyl-1,3-thiazole.
Chemical Property Profile of 4M-031
Property Insights of 4M-031
The XLogP value of 5.73 indicates that 4M-031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 4M-031 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4M-031 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4M-031?
The CAS number of 4M-031 is 318255-90-2.
What is the molecular formula of 4M-031?
The molecular formula of 4M-031 is C18H10ClF3N4S.
What is the molecular weight of 4M-031?
The molecular weight of 4M-031 is 406.03 g/mol.
Where can I buy 4M-031?
You can request a quote for 4M-031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4M-031?
Yes, KEHONG BIO provides custom synthesis services for 4M-031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.