BAS 02987784
TL;DR: BAS 02987784 (CAS 505049-91-2) is a chemical compound with molecular formula C23H25F4N3OS and molecular weight 467.17 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-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
Also Known As: BAS 02987784, AN-329/42286086, 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethanone, 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone, 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-ylthio]-1-(1,3,3-trimethy l-6-azabicyclo[3.2.1]oct-6-yl)ethan-1-one
| Molecular Formula | C23H25F4N3OS |
|---|---|
| Molecular Weight | 467.17 g/mol |
| LogP | 5.8208 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.16544 |
| Heavy Atoms | 32 |
| Complexity | 1024.8918 |
Chemical Identifiers
| CAS Number | 505049-91-2 |
|---|---|
| SMILES | CC1(CC2CC(C1)(CN2C(=O)CSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=C(C=C4)F)C)C |
Product Overview
BAS 02987784 (CAS 505049-91-2), with molecular formula C23H25F4N3OS and molecular weight 467.17 g/mol. IUPAC: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.
Chemical Property Profile of BAS 02987784
Property Insights of BAS 02987784
The XLogP value of 5.8208 indicates that BAS 02987784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.09 Ų, BAS 02987784 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02987784 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02987784?
The CAS number of BAS 02987784 is 505049-91-2.
What is the molecular formula of BAS 02987784?
The molecular formula of BAS 02987784 is C23H25F4N3OS.
What is the molecular weight of BAS 02987784?
The molecular weight of BAS 02987784 is 467.17 g/mol.
Where can I buy BAS 02987784?
You can request a quote for BAS 02987784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02987784?
Yes, KEHONG BIO provides custom synthesis services for BAS 02987784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.