7J-906
TL;DR: 7J-906 (CAS 339012-76-9) is a chemical compound with molecular formula C21H16ClF6N5O2 and molecular weight 519.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione
Also Known As: 7J-906, 4-(4-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)piperazino)-6-hydroxy-1-(3-(trifluoromethyl)phenyl)-2(1H)-pyrimidinone, 4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-6-hydroxy-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrimidin-2-one, 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione, 4-[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-6-hydroxy-1-[3-(trifluoromethyl)phenyl]-2(1H)-pyrimidinone
| Molecular Formula | C21H16ClF6N5O2 |
|---|---|
| Molecular Weight | 519.09 g/mol |
| LogP | 3.9384 |
| Topological Polar Surface Area | 74.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 519.08966 |
| Heavy Atoms | 35 |
| Complexity | 1328.527 |
Chemical Identifiers
| CAS Number | 339012-76-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=O)N(C(=O)N2)C3=CC=CC(=C3)C(F)(F)F)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
7J-906 (CAS 339012-76-9), with molecular formula C21H16ClF6N5O2 and molecular weight 519.09 g/mol. IUPAC: 6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 7J-906
Property Insights of 7J-906
The XLogP value of 3.9384 indicates that 7J-906 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 7J-906. Following Lipinski's Rule of Five, 7J-906 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7J-906?
The CAS number of 7J-906 is 339012-76-9.
What is the molecular formula of 7J-906?
The molecular formula of 7J-906 is C21H16ClF6N5O2.
What is the molecular weight of 7J-906?
The molecular weight of 7J-906 is 519.09 g/mol.
Where can I buy 7J-906?
You can request a quote for 7J-906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7J-906?
Yes, KEHONG BIO provides custom synthesis services for 7J-906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.