2J-955
TL;DR: 2J-955 (CAS 338773-03-8) is a chemical compound with molecular formula C22H15ClF6N6O2 and molecular weight 544.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 2J-955, 1-[2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-5-(trifluoromethyl)phenyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-2,4-dioxopyrimidine-5-carbonitrile, 1-(2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-(trifluoromethyl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-(2-{4-[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]PIPERAZIN-1-YL}-5-(TRIFLUOROMETHYL)PHENYL)-2,4-DIOXO-3H-PYRIMIDINE-5-CARBONITRILE
| Molecular Formula | C22H15ClF6N6O2 |
|---|---|
| Molecular Weight | 544.08 g/mol |
| LogP | 3.81008 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 544.0849 |
| Heavy Atoms | 37 |
| Complexity | 1499.697 |
Chemical Identifiers
| CAS Number | 338773-03-8 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)N3C=C(C(=O)NC3=O)C#N)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
2J-955 (CAS 338773-03-8), with molecular formula C22H15ClF6N6O2 and molecular weight 544.08 g/mol. IUPAC: 1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 2J-955
Property Insights of 2J-955
The XLogP value of 3.81008 indicates that 2J-955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2J-955. Following Lipinski's Rule of Five, 2J-955 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2J-955?
The CAS number of 2J-955 is 338773-03-8.
What is the molecular formula of 2J-955?
The molecular formula of 2J-955 is C22H15ClF6N6O2.
What is the molecular weight of 2J-955?
The molecular weight of 2J-955 is 544.08 g/mol.
Where can I buy 2J-955?
You can request a quote for 2J-955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-955?
Yes, KEHONG BIO provides custom synthesis services for 2J-955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.