ChemDiv1_012576
TL;DR: ChemDiv1_012576 (CAS 313248-89-4) is a chemical compound with molecular formula C18H14BrF3N4O2 and molecular weight 454.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
Also Known As: ChemDiv1_012576, BAS 00924260, AB00098941-01, [5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone, 5-(4-bromophenyl)-2-(4-morpholinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
| Molecular Formula | C18H14BrF3N4O2 |
|---|---|
| Molecular Weight | 454.03 g/mol |
| LogP | 3.65 |
| Topological Polar Surface Area | 59.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.0252 |
| Heavy Atoms | 28 |
| Complexity | 1027.727 |
Chemical Identifiers
| CAS Number | 313248-89-4 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)Br)C(F)(F)F |
Product Overview
ChemDiv1_012576 (CAS 313248-89-4), with molecular formula C18H14BrF3N4O2 and molecular weight 454.03 g/mol. IUPAC: [5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone.
Chemical Property Profile of ChemDiv1_012576
Property Insights of ChemDiv1_012576
The XLogP value of 3.65 indicates that ChemDiv1_012576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.73 Ų, ChemDiv1_012576 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_012576 has 0 hydrogen bond donor(s) and 4 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 ChemDiv1_012576?
The CAS number of ChemDiv1_012576 is 313248-89-4.
What is the molecular formula of ChemDiv1_012576?
The molecular formula of ChemDiv1_012576 is C18H14BrF3N4O2.
What is the molecular weight of ChemDiv1_012576?
The molecular weight of ChemDiv1_012576 is 454.03 g/mol.
Where can I buy ChemDiv1_012576?
You can request a quote for ChemDiv1_012576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012576?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.