BAS 00435080
TL;DR: BAS 00435080 (CAS 313987-80-3) is a chemical compound with molecular formula C22H17F4N5OS and molecular weight 475.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-fluorophenyl)piperazin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: BAS 00435080, AB00092819-01, (4-(4-fluorophenyl)piperazin-1-yl)(5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)methanone, 1-(4-FLUOROPHENYL)-4-[5-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBONYL]PIPERAZINE, F0347-2403
| Molecular Formula | C22H17F4N5OS |
|---|---|
| Molecular Weight | 475.11 g/mol |
| LogP | 4.5781 |
| Topological Polar Surface Area | 53.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.109 |
| Heavy Atoms | 33 |
| Complexity | 1293.0725 |
Chemical Identifiers
| CAS Number | 313987-80-3 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CS5)C(F)(F)F |
Product Overview
BAS 00435080 (CAS 313987-80-3), with molecular formula C22H17F4N5OS and molecular weight 475.11 g/mol. IUPAC: [4-(4-fluorophenyl)piperazin-1-yl]-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of BAS 00435080
Property Insights of BAS 00435080
The XLogP value of 4.5781 indicates that BAS 00435080 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.74 Ų, BAS 00435080 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00435080 has 0 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 00435080?
The CAS number of BAS 00435080 is 313987-80-3.
What is the molecular formula of BAS 00435080?
The molecular formula of BAS 00435080 is C22H17F4N5OS.
What is the molecular weight of BAS 00435080?
The molecular weight of BAS 00435080 is 475.11 g/mol.
Where can I buy BAS 00435080?
You can request a quote for BAS 00435080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00435080?
Yes, KEHONG BIO provides custom synthesis services for BAS 00435080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.