3J-942
TL;DR: 3J-942 (CAS 338412-07-0) is a chemical compound with molecular formula C20H19ClF3N5O2 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4,5-dihydroimidazol-1-yl]benzoic acid
Also Known As: 3J-942, 4-(2-(4-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)piperazino)-4,5-dihydro-1H-imidazol-1-yl)benzenecarboxylic acid, 4-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-4,5-dihydroimidazol-1-yl]benzoic acid, 4-(2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-4,5-dihydro-1H-imidazol-1-yl)benzoic acid, 4-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-4,5-dihydro-1H-imidazol-1-yl)benzenecarboxylic acid
| Molecular Formula | C20H19ClF3N5O2 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 3.4502 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 453.11795 |
| Heavy Atoms | 31 |
| Complexity | 1004.8652 |
Chemical Identifiers
| CAS Number | 338412-07-0 |
|---|---|
| SMILES | C1CN(C(=N1)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C4=CC=C(C=C4)C(=O)O |
Product Overview
3J-942 (CAS 338412-07-0), with molecular formula C20H19ClF3N5O2 and molecular weight 453.12 g/mol. IUPAC: 4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-4,5-dihydroimidazol-1-yl]benzoic acid.
Chemical Property Profile of 3J-942
Property Insights of 3J-942
The XLogP value of 3.4502 indicates that 3J-942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3J-942. Following Lipinski's Rule of Five, 3J-942 has 1 hydrogen bond donor(s) and 6 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 3J-942?
The CAS number of 3J-942 is 338412-07-0.
What is the molecular formula of 3J-942?
The molecular formula of 3J-942 is C20H19ClF3N5O2.
What is the molecular weight of 3J-942?
The molecular weight of 3J-942 is 453.12 g/mol.
Where can I buy 3J-942?
You can request a quote for 3J-942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-942?
Yes, KEHONG BIO provides custom synthesis services for 3J-942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.