AB00098684-01
TL;DR: AB00098684-01 (CAS 333765-16-5) is a chemical compound with molecular formula C19H16F3N5O3 and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
Also Known As: AB00098684-01, [5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone, [5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](piperidin-1-yl)methanone, (5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)(piperidin-1-yl)methanone, 1-[5-(4-NITROPHENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBONYL]PIPERIDINE
| Molecular Formula | C19H16F3N5O3 |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 3.9494 |
| Topological Polar Surface Area | 93.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.1205 |
| Heavy Atoms | 30 |
| Complexity | 1118.8857 |
Chemical Identifiers
| CAS Number | 333765-16-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F |
Product Overview
AB00098684-01 (CAS 333765-16-5), with molecular formula C19H16F3N5O3 and molecular weight 419.12 g/mol. IUPAC: [5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
Chemical Property Profile of AB00098684-01
Property Insights of AB00098684-01
The XLogP value of 3.9494 indicates that AB00098684-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00098684-01. Following Lipinski's Rule of Five, AB00098684-01 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 AB00098684-01?
The CAS number of AB00098684-01 is 333765-16-5.
What is the molecular formula of AB00098684-01?
The molecular formula of AB00098684-01 is C19H16F3N5O3.
What is the molecular weight of AB00098684-01?
The molecular weight of AB00098684-01 is 419.12 g/mol.
Where can I buy AB00098684-01?
You can request a quote for AB00098684-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098684-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098684-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.