2J-954
TL;DR: 2J-954 (CAS 338773-02-7) is a chemical compound with molecular formula C24H19Cl2F6N5O and molecular weight 577.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]urea
Also Known As: 2J-954, N-(4-chlorophenyl)-N'-[2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-5-(trifluoromethyl)phenyl]urea, 1-(4-chlorophenyl)-3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]urea, 3-(2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-(trifluoromethyl)phenyl)-1-(4-chlorophenyl)urea
| Molecular Formula | C24H19Cl2F6N5O |
|---|---|
| Molecular Weight | 577.09 g/mol |
| LogP | 7.3966 |
| Topological Polar Surface Area | 60.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 577.0871 |
| Heavy Atoms | 38 |
| Complexity | 1309.1337 |
Chemical Identifiers
| CAS Number | 338773-02-7 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)NC3=CC=C(C=C3)Cl)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
2J-954 (CAS 338773-02-7), with molecular formula C24H19Cl2F6N5O and molecular weight 577.09 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 2J-954
Property Insights of 2J-954
The XLogP value of 7.3966 indicates that 2J-954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2J-954. Following Lipinski's Rule of Five, 2J-954 has 2 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 2J-954?
The CAS number of 2J-954 is 338773-02-7.
What is the molecular formula of 2J-954?
The molecular formula of 2J-954 is C24H19Cl2F6N5O.
What is the molecular weight of 2J-954?
The molecular weight of 2J-954 is 577.09 g/mol.
Where can I buy 2J-954?
You can request a quote for 2J-954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-954?
Yes, KEHONG BIO provides custom synthesis services for 2J-954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.