2J-953
TL;DR: 2J-953 (CAS 338773-00-5) is a chemical compound with molecular formula C17H15ClF6N4 and molecular weight 424.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)aniline
Also Known As: 2J-953, 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)aniline, 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-5-(trifluoromethyl)aniline, 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-(trifluoromethyl)aniline
| Molecular Formula | C17H15ClF6N4 |
|---|---|
| Molecular Weight | 424.09 g/mol |
| LogP | 4.6814 |
| Topological Polar Surface Area | 45.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.08893 |
| Heavy Atoms | 28 |
| Complexity | 788.2017 |
Chemical Identifiers
| CAS Number | 338773-00-5 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)N)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2J-953 (CAS 338773-00-5), with molecular formula C17H15ClF6N4 and molecular weight 424.09 g/mol. IUPAC: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)aniline.
Chemical Property Profile of 2J-953
Property Insights of 2J-953
The XLogP value of 4.6814 indicates that 2J-953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.39 Ų, 2J-953 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2J-953 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2J-953?
The CAS number of 2J-953 is 338773-00-5.
What is the molecular formula of 2J-953?
The molecular formula of 2J-953 is C17H15ClF6N4.
What is the molecular weight of 2J-953?
The molecular weight of 2J-953 is 424.09 g/mol.
Where can I buy 2J-953?
You can request a quote for 2J-953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-953?
Yes, KEHONG BIO provides custom synthesis services for 2J-953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.