BAS 02987803
TL;DR: BAS 02987803 (CAS 868972-48-9) is a chemical compound with molecular formula C19H14F4N4OS and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
Also Known As: BAS 02987803, AP-906/42286090, 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide, 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-(4-pyridylmethy l)acetamide, 2-((4-(4-Fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)-N-(pyridin-4-ylmethyl)acetamide
| Molecular Formula | C19H14F4N4OS |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 4.105 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.08246 |
| Heavy Atoms | 29 |
| Complexity | 981.7493 |
Chemical Identifiers
| CAS Number | 868972-48-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=NC(=N2)SCC(=O)NCC3=CC=NC=C3)C(F)(F)F)F |
Product Overview
BAS 02987803 (CAS 868972-48-9), with molecular formula C19H14F4N4OS and molecular weight 422.08 g/mol. IUPAC: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide.
Chemical Property Profile of BAS 02987803
Property Insights of BAS 02987803
The XLogP value of 4.105 indicates that BAS 02987803 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 02987803. Following Lipinski's Rule of Five, BAS 02987803 has 1 hydrogen bond donor(s) and 5 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 02987803?
The CAS number of BAS 02987803 is 868972-48-9.
What is the molecular formula of BAS 02987803?
The molecular formula of BAS 02987803 is C19H14F4N4OS.
What is the molecular weight of BAS 02987803?
The molecular weight of BAS 02987803 is 422.08 g/mol.
Where can I buy BAS 02987803?
You can request a quote for BAS 02987803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02987803?
Yes, KEHONG BIO provides custom synthesis services for BAS 02987803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.