6X-0314
TL;DR: 6X-0314 (CAS 1030386-16-3) is a chemical compound with molecular formula C22H21F3N4O2 and molecular weight 430.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
Also Known As: 6X-0314, 4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine, 4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]-1-{[4-(trifluoromethyl)phenyl]methyl}piperidine, 4-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]-1-[4-(trifluoromethyl)benzyl]piperidine, 4-[5-(3-nitrophenyl)-2H-pyrazol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
| Molecular Formula | C22H21F3N4O2 |
|---|---|
| Molecular Weight | 430.16 g/mol |
| LogP | 5.3833 |
| Topological Polar Surface Area | 75.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.16165 |
| Heavy Atoms | 31 |
| Complexity | 1055.118 |
Chemical Identifiers
| CAS Number | 1030386-16-3 |
|---|---|
| SMILES | C1CN(CCC1C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C(F)(F)F |
Product Overview
6X-0314 (CAS 1030386-16-3), with molecular formula C22H21F3N4O2 and molecular weight 430.16 g/mol. IUPAC: 4-[3-(3-nitrophenyl)-1H-pyrazol-5-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine.
Chemical Property Profile of 6X-0314
Property Insights of 6X-0314
The XLogP value of 5.3833 indicates that 6X-0314 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 6X-0314. Following Lipinski's Rule of Five, 6X-0314 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6X-0314?
The CAS number of 6X-0314 is 1030386-16-3.
What is the molecular formula of 6X-0314?
The molecular formula of 6X-0314 is C22H21F3N4O2.
What is the molecular weight of 6X-0314?
The molecular weight of 6X-0314 is 430.16 g/mol.
Where can I buy 6X-0314?
You can request a quote for 6X-0314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6X-0314?
Yes, KEHONG BIO provides custom synthesis services for 6X-0314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.