3K-909
TL;DR: 3K-909 (CAS 338412-90-1) is a chemical compound with molecular formula C22H14BrClF3N3O3 and molecular weight 538.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromophenyl)methoxy]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]isoindole-1,3-dione
Also Known As: 3K-909, 4-[(4-bromobenzyl)oxy]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-1H-isoindole-1,3(2H)-dione, 4-[(4-bromophenyl)methoxy]-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]isoindole-1,3-dione, 4-[(4-bromophenyl)methoxy]-2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-2,3-dihydro-1H-isoindole-1,3-dione
| Molecular Formula | C22H14BrClF3N3O3 |
|---|---|
| Molecular Weight | 538.99 g/mol |
| LogP | 5.7427 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.9859 |
| Heavy Atoms | 33 |
| Complexity | 1251.8689 |
Chemical Identifiers
| CAS Number | 338412-90-1 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C(=O)C3=C(C2=O)C(=CC=C3)OCC4=CC=C(C=C4)Br |
Product Overview
3K-909 (CAS 338412-90-1), with molecular formula C22H14BrClF3N3O3 and molecular weight 538.99 g/mol. IUPAC: 4-[(4-bromophenyl)methoxy]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]isoindole-1,3-dione.
Chemical Property Profile of 3K-909
Property Insights of 3K-909
The XLogP value of 5.7427 indicates that 3K-909 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3K-909. Following Lipinski's Rule of Five, 3K-909 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3K-909?
The CAS number of 3K-909 is 338412-90-1.
What is the molecular formula of 3K-909?
The molecular formula of 3K-909 is C22H14BrClF3N3O3.
What is the molecular weight of 3K-909?
The molecular weight of 3K-909 is 538.99 g/mol.
Where can I buy 3K-909?
You can request a quote for 3K-909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3K-909?
Yes, KEHONG BIO provides custom synthesis services for 3K-909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.