3H-069
TL;DR: 3H-069 (CAS 338407-47-9) is a chemical compound with molecular formula C24H14Cl2F3NO6S2 and molecular weight 602.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzenesulfonyl)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-chlorobenzenesulfonate
Also Known As: 3H-069, 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-2-(phenylsulfonyl)phenyl 4-chlorobenzenesulfonate, [2-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 4-chlorobenzenesulfonate, 2-(benzenesulfonyl)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl 4-chlorobenzene-1-sulfonate, 2-(benzenesulfonyl)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl4-chlorobenzene-1-sulfonate
| Molecular Formula | C24H14Cl2F3NO6S2 |
|---|---|
| Molecular Weight | 602.96 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 99.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 602.95917 |
| Heavy Atoms | 38 |
| Complexity | 1697.873 |
Chemical Identifiers
| CAS Number | 338407-47-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl)OS(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
3H-069 (CAS 338407-47-9), with molecular formula C24H14Cl2F3NO6S2 and molecular weight 602.96 g/mol. IUPAC: [2-(benzenesulfonyl)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 4-chlorobenzenesulfonate.
Chemical Property Profile of 3H-069
Property Insights of 3H-069
The XLogP value of 6.8 indicates that 3H-069 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-069. Following Lipinski's Rule of Five, 3H-069 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 3H-069?
The CAS number of 3H-069 is 338407-47-9.
What is the molecular formula of 3H-069?
The molecular formula of 3H-069 is C24H14Cl2F3NO6S2.
What is the molecular weight of 3H-069?
The molecular weight of 3H-069 is 602.96 g/mol.
Where can I buy 3H-069?
You can request a quote for 3H-069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-069?
Yes, KEHONG BIO provides custom synthesis services for 3H-069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.