ChemDiv1_017819
TL;DR: ChemDiv1_017819 (CAS 312509-58-3) is a chemical compound with molecular formula C23H19BrF3N5O2 and molecular weight 533.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: ChemDiv1_017819, A1935/0081432, (4-benzylpiperazin-1-yl)-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone, (4-benzylpiperazino)[3-bromo-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone, (4-benzylpiperazin-1-yl)[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
| Molecular Formula | C23H19BrF3N5O2 |
|---|---|
| Molecular Weight | 533.07 g/mol |
| LogP | 4.7286 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 533.06744 |
| Heavy Atoms | 34 |
| Complexity | 1314.1327 |
Chemical Identifiers
| CAS Number | 312509-58-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CO5)C(F)(F)F |
Product Overview
ChemDiv1_017819 (CAS 312509-58-3), with molecular formula C23H19BrF3N5O2 and molecular weight 533.07 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-[3-bromo-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of ChemDiv1_017819
Property Insights of ChemDiv1_017819
The XLogP value of 4.7286 indicates that ChemDiv1_017819 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017819. Following Lipinski's Rule of Five, ChemDiv1_017819 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_017819?
The CAS number of ChemDiv1_017819 is 312509-58-3.
What is the molecular formula of ChemDiv1_017819?
The molecular formula of ChemDiv1_017819 is C23H19BrF3N5O2.
What is the molecular weight of ChemDiv1_017819?
The molecular weight of ChemDiv1_017819 is 533.07 g/mol.
Where can I buy ChemDiv1_017819?
You can request a quote for ChemDiv1_017819 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017819?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017819 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.