US11718589, Compound 36a
TL;DR: US11718589, Compound 36a (CAS 313247-77-7) is a chemical compound with molecular formula C19H16F4N4O and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
Also Known As: US11718589, Compound 36a, BAS 00923837, [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone, [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](piperidin-1-yl)methanone, 5-(4-fluorophenyl)-2-(1-piperidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
| Molecular Formula | C19H16F4N4O |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 4.1803 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.12604 |
| Heavy Atoms | 28 |
| Complexity | 1020.82996 |
Chemical Identifiers
| CAS Number | 313247-77-7 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)F)C(F)(F)F |
Product Overview
US11718589, Compound 36a (CAS 313247-77-7), with molecular formula C19H16F4N4O and molecular weight 392.13 g/mol. IUPAC: [5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
Chemical Property Profile of US11718589, Compound 36a
Property Insights of US11718589, Compound 36a
The XLogP value of 4.1803 indicates that US11718589, Compound 36a is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, US11718589, Compound 36a exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, US11718589, Compound 36a has 0 hydrogen bond donor(s) and 3 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 US11718589, Compound 36a?
The CAS number of US11718589, Compound 36a is 313247-77-7.
What is the molecular formula of US11718589, Compound 36a?
The molecular formula of US11718589, Compound 36a is C19H16F4N4O.
What is the molecular weight of US11718589, Compound 36a?
The molecular weight of US11718589, Compound 36a is 392.13 g/mol.
Where can I buy US11718589, Compound 36a?
You can request a quote for US11718589, Compound 36a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for US11718589, Compound 36a?
Yes, KEHONG BIO provides custom synthesis services for US11718589, Compound 36a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.