3H-016
TL;DR: 3H-016 (CAS 338406-80-7) is a chemical compound with molecular formula C24H12Cl2F6N2O4S and molecular weight 607.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(benzenesulfonyl)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
Also Known As: 3H-016, 3-chloro-2-[4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-3-(phenylsulfonyl)phenoxy]-5-(trifluoromethyl)pyridine, 2-[3-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]-3-chloro-5-(trifluoromethyl)pyridine, 2-[3-(benzenesulfonyl)-4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
| Molecular Formula | C24H12Cl2F6N2O4S |
|---|---|
| Molecular Weight | 607.98 g/mol |
| LogP | 8.2384 |
| Topological Polar Surface Area | 78.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 607.9799 |
| Heavy Atoms | 39 |
| Complexity | 1632.4227 |
Chemical Identifiers
| CAS Number | 338406-80-7 |
|---|---|
| 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)OC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
3H-016 (CAS 338406-80-7), with molecular formula C24H12Cl2F6N2O4S and molecular weight 607.98 g/mol. IUPAC: 2-[3-(benzenesulfonyl)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 3H-016
Property Insights of 3H-016
The XLogP value of 8.2384 indicates that 3H-016 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-016. Following Lipinski's Rule of Five, 3H-016 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 3H-016?
The CAS number of 3H-016 is 338406-80-7.
What is the molecular formula of 3H-016?
The molecular formula of 3H-016 is C24H12Cl2F6N2O4S.
What is the molecular weight of 3H-016?
The molecular weight of 3H-016 is 607.98 g/mol.
Where can I buy 3H-016?
You can request a quote for 3H-016 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-016?
Yes, KEHONG BIO provides custom synthesis services for 3H-016 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.