9J-028
TL;DR: 9J-028 (CAS 339111-61-4) is a chemical compound with molecular formula C19H12Cl3F3N2O4S and molecular weight 525.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-[(2,4-dichlorophenyl)methyl]sulfamate
Also Known As: 9J-028, 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl-N-(2,4-dichlorobenzyl)sulfamate, [2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] N-[(2,4-dichlorophenyl)methyl]sulfamate, 3-chloro-2-[2-[(2,4-dichlorophenyl)methylsulfamoyloxy]phenoxy]-5-(trifluoromethyl)pyridine, 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl N-[(2,4-dichlorophenyl)methyl]sulfamate
| Molecular Formula | C19H12Cl3F3N2O4S |
|---|---|
| Molecular Weight | 525.95 g/mol |
| LogP | 6.2663 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.95355 |
| Heavy Atoms | 32 |
| Complexity | 1240.7278 |
Chemical Identifiers
| CAS Number | 339111-61-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)OS(=O)(=O)NCC3=C(C=C(C=C3)Cl)Cl |
Product Overview
9J-028 (CAS 339111-61-4), with molecular formula C19H12Cl3F3N2O4S and molecular weight 525.95 g/mol. IUPAC: [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] N-[(2,4-dichlorophenyl)methyl]sulfamate.
Chemical Property Profile of 9J-028
Property Insights of 9J-028
The XLogP value of 6.2663 indicates that 9J-028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 9J-028. Following Lipinski's Rule of Five, 9J-028 has 1 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 9J-028?
The CAS number of 9J-028 is 339111-61-4.
What is the molecular formula of 9J-028?
The molecular formula of 9J-028 is C19H12Cl3F3N2O4S.
What is the molecular weight of 9J-028?
The molecular weight of 9J-028 is 525.95 g/mol.
Where can I buy 9J-028?
You can request a quote for 9J-028 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9J-028?
Yes, KEHONG BIO provides custom synthesis services for 9J-028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.