BAS 09687890
TL;DR: BAS 09687890 (CAS 842970-97-2) is a chemical compound with molecular formula C17H12ClF3N4OS2 and molecular weight 444.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: BAS 09687890, VU0613022-1, N-(5-(4-chloro-3-(trifluoromethyl)benzyl)thiazol-2-yl)-2-(pyrimidin-2-ylthio)acetamide, F3375-1402, N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide
| Molecular Formula | C17H12ClF3N4OS2 |
|---|---|
| Molecular Weight | 444.01 g/mol |
| LogP | 4.9269 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.0093 |
| Heavy Atoms | 28 |
| Complexity | 966.5364 |
Chemical Identifiers
| CAS Number | 842970-97-2 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC(=O)NC2=NC=C(S2)CC3=CC(=C(C=C3)Cl)C(F)(F)F |
Product Overview
BAS 09687890 (CAS 842970-97-2), with molecular formula C17H12ClF3N4OS2 and molecular weight 444.01 g/mol. IUPAC: N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-pyrimidin-2-ylsulfanylacetamide.
Chemical Property Profile of BAS 09687890
Property Insights of BAS 09687890
The XLogP value of 4.9269 indicates that BAS 09687890 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09687890. Following Lipinski's Rule of Five, BAS 09687890 has 1 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 BAS 09687890?
The CAS number of BAS 09687890 is 842970-97-2.
What is the molecular formula of BAS 09687890?
The molecular formula of BAS 09687890 is C17H12ClF3N4OS2.
What is the molecular weight of BAS 09687890?
The molecular weight of BAS 09687890 is 444.01 g/mol.
Where can I buy BAS 09687890?
You can request a quote for BAS 09687890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09687890?
Yes, KEHONG BIO provides custom synthesis services for BAS 09687890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.