BAS 02987711
TL;DR: BAS 02987711 (CAS 333787-32-9) 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-3-ylmethyl)acetamide
Also Known As: BAS 02987711, AP-906/42286041, 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide, 2-{[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-(3-pyridinylmethyl)acetamide, 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-(3-pyridylmethy l)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 | 333787-32-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F |
Product Overview
BAS 02987711 (CAS 333787-32-9), with molecular formula C19H14F4N4OS and molecular weight 422.08 g/mol. IUPAC: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)acetamide.
Chemical Property Profile of BAS 02987711
Property Insights of BAS 02987711
The XLogP value of 4.105 indicates that BAS 02987711 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 02987711. Following Lipinski's Rule of Five, BAS 02987711 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 02987711?
The CAS number of BAS 02987711 is 333787-32-9.
What is the molecular formula of BAS 02987711?
The molecular formula of BAS 02987711 is C19H14F4N4OS.
What is the molecular weight of BAS 02987711?
The molecular weight of BAS 02987711 is 422.08 g/mol.
Where can I buy BAS 02987711?
You can request a quote for BAS 02987711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02987711?
Yes, KEHONG BIO provides custom synthesis services for BAS 02987711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.