BAS 03609776
TL;DR: BAS 03609776 (CAS 493018-82-9) is a chemical compound with molecular formula C23H20F3N5O2S and molecular weight 487.13 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-(5-methyl-2-phenylpyrazol-3-yl)butanamide
Also Known As: BAS 03609776, AN-329/43211053, 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)butanamide, 4-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-(5-methyl-2-phenyl-2H-pyrazol-3-yl)-butyramide, 4-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)butanamide
| Molecular Formula | C23H20F3N5O2S |
|---|---|
| Molecular Weight | 487.13 g/mol |
| LogP | 5.76052 |
| Topological Polar Surface Area | 85.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.12897 |
| Heavy Atoms | 34 |
| Complexity | 1257.6086 |
Chemical Identifiers
| CAS Number | 493018-82-9 |
|---|---|
| SMILES | CC1=NN(C(=C1)NC(=O)CCCSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3)C4=CC=CC=C4 |
Product Overview
BAS 03609776 (CAS 493018-82-9), with molecular formula C23H20F3N5O2S and molecular weight 487.13 g/mol. IUPAC: 4-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)butanamide.
Chemical Property Profile of BAS 03609776
Property Insights of BAS 03609776
The XLogP value of 5.76052 indicates that BAS 03609776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03609776. Following Lipinski's Rule of Five, BAS 03609776 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 03609776?
The CAS number of BAS 03609776 is 493018-82-9.
What is the molecular formula of BAS 03609776?
The molecular formula of BAS 03609776 is C23H20F3N5O2S.
What is the molecular weight of BAS 03609776?
The molecular weight of BAS 03609776 is 487.13 g/mol.
Where can I buy BAS 03609776?
You can request a quote for BAS 03609776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03609776?
Yes, KEHONG BIO provides custom synthesis services for BAS 03609776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.