2J-944
TL;DR: 2J-944 (CAS 400079-60-9) is a chemical compound with molecular formula C26H20Cl2F6N6OS and molecular weight 648.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dihydroimidazol-1-yl]phenyl]methanone
Also Known As: 2J-944, {4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}[4-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-yl)phenyl]methanone, [4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-[4-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-4,5-dihydroimidazol-1-yl]phenyl]methanone, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-4,5-dihydro-1H-imidazol-1-yl)benzoyl]piperazine
| Molecular Formula | C26H20Cl2F6N6OS |
|---|---|
| Molecular Weight | 648.07 g/mol |
| LogP | 6.7517 |
| Topological Polar Surface Area | 64.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 648.07007 |
| Heavy Atoms | 42 |
| Complexity | 1510.6 |
Chemical Identifiers
| CAS Number | 400079-60-9 |
|---|---|
| SMILES | C1CN(C(=N1)SC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
2J-944 (CAS 400079-60-9), with molecular formula C26H20Cl2F6N6OS and molecular weight 648.07 g/mol. IUPAC: [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dihydroimidazol-1-yl]phenyl]methanone.
Chemical Property Profile of 2J-944
Property Insights of 2J-944
The XLogP value of 6.7517 indicates that 2J-944 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2J-944. Following Lipinski's Rule of Five, 2J-944 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2J-944?
The CAS number of 2J-944 is 400079-60-9.
What is the molecular formula of 2J-944?
The molecular formula of 2J-944 is C26H20Cl2F6N6OS.
What is the molecular weight of 2J-944?
The molecular weight of 2J-944 is 648.07 g/mol.
Where can I buy 2J-944?
You can request a quote for 2J-944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-944?
Yes, KEHONG BIO provides custom synthesis services for 2J-944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.