BAS 00398244
TL;DR: BAS 00398244 (CAS 313986-80-0) is a chemical compound with molecular formula C25H21ClF3N5O and molecular weight 499.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: BAS 00398244, (4-benzylpiperazin-1-yl)-[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone, 2-[(4-benzyl-1-piperazinyl)carbonyl]-3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, 3-chloro-5-phenyl-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-yl) 4- benzylpiperazinyl ketone
| Molecular Formula | C25H21ClF3N5O |
|---|---|
| Molecular Weight | 499.14 g/mol |
| LogP | 5.0265 |
| Topological Polar Surface Area | 53.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.13867 |
| Heavy Atoms | 35 |
| Complexity | 1350.5426 |
Chemical Identifiers
| CAS Number | 313986-80-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CC=C5)C(F)(F)F |
Product Overview
BAS 00398244 (CAS 313986-80-0), with molecular formula C25H21ClF3N5O and molecular weight 499.14 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of BAS 00398244
Property Insights of BAS 00398244
The XLogP value of 5.0265 indicates that BAS 00398244 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 00398244 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00398244 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 00398244?
The CAS number of BAS 00398244 is 313986-80-0.
What is the molecular formula of BAS 00398244?
The molecular formula of BAS 00398244 is C25H21ClF3N5O.
What is the molecular weight of BAS 00398244?
The molecular weight of BAS 00398244 is 499.14 g/mol.
Where can I buy BAS 00398244?
You can request a quote for BAS 00398244 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00398244?
Yes, KEHONG BIO provides custom synthesis services for BAS 00398244 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.