BAS 03609782
TL;DR: BAS 03609782 (CAS 5161-60-4) is a chemical compound with molecular formula C20H18F3N3O2S2 and molecular weight 453.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methylsulfanylphenyl)butanamide
Also Known As: BAS 03609782, 4-{[4-(Furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}-N-[2-(methylsulfanyl)phenyl]butanamide, 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methylsulfanylphenyl)butanamide
| Molecular Formula | C20H18F3N3O2S2 |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 5.9883 |
| Topological Polar Surface Area | 68.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.07925 |
| Heavy Atoms | 30 |
| Complexity | 995.2118 |
Chemical Identifiers
| CAS Number | 5161-60-4 |
|---|---|
| SMILES | CSC1=CC=CC=C1NC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3 |
Product Overview
BAS 03609782 (CAS 5161-60-4), with molecular formula C20H18F3N3O2S2 and molecular weight 453.08 g/mol. IUPAC: 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(2-methylsulfanylphenyl)butanamide.
Chemical Property Profile of BAS 03609782
Property Insights of BAS 03609782
The XLogP value of 5.9883 indicates that BAS 03609782 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.02 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03609782. Following Lipinski's Rule of Five, BAS 03609782 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 03609782?
The CAS number of BAS 03609782 is 5161-60-4.
What is the molecular formula of BAS 03609782?
The molecular formula of BAS 03609782 is C20H18F3N3O2S2.
What is the molecular weight of BAS 03609782?
The molecular weight of BAS 03609782 is 453.08 g/mol.
Where can I buy BAS 03609782?
You can request a quote for BAS 03609782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03609782?
Yes, KEHONG BIO provides custom synthesis services for BAS 03609782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.