3J-917
TL;DR: 3J-917 (CAS 338411-86-2) is a chemical compound with molecular formula C18H14ClF9N4O2S and molecular weight 556.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,1,1-trifluoromethanesulfonamide
Also Known As: 3J-917, N-[2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-5-(trifluoromethyl)phenyl](trifluoro)methanesulfonamide, N-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,1,1-trifluoromethanesulfonamide, N-(2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-(trifluoromethyl)phenyl)-1,1,1-trifluoromethanesulfonamide
| Molecular Formula | C18H14ClF9N4O2S |
|---|---|
| Molecular Weight | 556.04 g/mol |
| LogP | 5.3607 |
| Topological Polar Surface Area | 65.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 556.0382 |
| Heavy Atoms | 35 |
| Complexity | 1191.9272 |
Chemical Identifiers
| CAS Number | 338411-86-2 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3J-917 (CAS 338411-86-2), with molecular formula C18H14ClF9N4O2S and molecular weight 556.04 g/mol. IUPAC: N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,1,1-trifluoromethanesulfonamide.
Chemical Property Profile of 3J-917
Property Insights of 3J-917
The XLogP value of 5.3607 indicates that 3J-917 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3J-917. Following Lipinski's Rule of Five, 3J-917 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 3J-917?
The CAS number of 3J-917 is 338411-86-2.
What is the molecular formula of 3J-917?
The molecular formula of 3J-917 is C18H14ClF9N4O2S.
What is the molecular weight of 3J-917?
The molecular weight of 3J-917 is 556.04 g/mol.
Where can I buy 3J-917?
You can request a quote for 3J-917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-917?
Yes, KEHONG BIO provides custom synthesis services for 3J-917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.