1J-942
TL;DR: 1J-942 (CAS 321433-54-9) is a chemical compound with molecular formula C27H23Cl2F3N4O2S and molecular weight 594.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(4-chlorophenyl)sulfanyl-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: 1J-942, 1-benzyl-3-(4-chlorophenyl)sulfanyl-4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrrolidine-2,5-dione, 1-benzyl-3-[(4-chlorophenyl)sulfanyl]-4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}dihydro-1H-pyrrole-2,5-dione, 1-benzyl-3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-4-[(4-chlorophenyl)sulfanyl]pyrrolidine-2,5-dione, 1-BENZYL-3-[(4-CHLOROPHENYL)SULFANYL]-4-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)DIHYDRO-1H-PYRROLE-2,5-DIONE
| Molecular Formula | C27H23Cl2F3N4O2S |
|---|---|
| Molecular Weight | 594.09 g/mol |
| LogP | 5.6277 |
| Topological Polar Surface Area | 56.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 594.0871 |
| Heavy Atoms | 39 |
| Complexity | 1353.3882 |
Chemical Identifiers
| CAS Number | 321433-54-9 |
|---|---|
| SMILES | C1CN(CCN1C2C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=CC=C(C=C4)Cl)C5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
1J-942 (CAS 321433-54-9), with molecular formula C27H23Cl2F3N4O2S and molecular weight 594.09 g/mol. IUPAC: 1-benzyl-3-(4-chlorophenyl)sulfanyl-4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione.
Chemical Property Profile of 1J-942
Property Insights of 1J-942
The XLogP value of 5.6277 indicates that 1J-942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.75 Ų, 1J-942 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1J-942 has 0 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 1J-942?
The CAS number of 1J-942 is 321433-54-9.
What is the molecular formula of 1J-942?
The molecular formula of 1J-942 is C27H23Cl2F3N4O2S.
What is the molecular weight of 1J-942?
The molecular weight of 1J-942 is 594.09 g/mol.
Where can I buy 1J-942?
You can request a quote for 1J-942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1J-942?
Yes, KEHONG BIO provides custom synthesis services for 1J-942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.