9X-0097
TL;DR: 9X-0097 (CAS 1024592-82-2) is a chemical compound with molecular formula C19H16F3N5O5 and molecular weight 451.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
Also Known As: 9X-0097, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(2-furyl)-1H-pyrazol-3-yl]piperidine, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(furan-2-yl)-1H-pyrazol-3-yl]piperidine, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[5-(2-furyl)-2H-pyrazol-3-yl]piperidine
| Molecular Formula | C19H16F3N5O5 |
|---|---|
| Molecular Weight | 451.11 g/mol |
| LogP | 4.8889 |
| Topological Polar Surface Area | 131.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.11035 |
| Heavy Atoms | 32 |
| Complexity | 1115.5627 |
Chemical Identifiers
| CAS Number | 1024592-82-2 |
|---|---|
| SMILES | C1CN(CCC1C2=CC(=NN2)C3=CC=CO3)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
9X-0097 (CAS 1024592-82-2), with molecular formula C19H16F3N5O5 and molecular weight 451.11 g/mol. IUPAC: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine.
Chemical Property Profile of 9X-0097
Property Insights of 9X-0097
The XLogP value of 4.8889 indicates that 9X-0097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 9X-0097. Following Lipinski's Rule of Five, 9X-0097 has 1 hydrogen bond donor(s) and 7 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 9X-0097?
The CAS number of 9X-0097 is 1024592-82-2.
What is the molecular formula of 9X-0097?
The molecular formula of 9X-0097 is C19H16F3N5O5.
What is the molecular weight of 9X-0097?
The molecular weight of 9X-0097 is 451.11 g/mol.
Where can I buy 9X-0097?
You can request a quote for 9X-0097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9X-0097?
Yes, KEHONG BIO provides custom synthesis services for 9X-0097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.