11E-044
TL;DR: 11E-044 (CAS 321385-86-8) is a chemical compound with molecular formula C21H13ClF3N3O3S and molecular weight 479.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[1-(benzenesulfonyl)pyrazol-3-yl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine
Also Known As: 11E-044, 2-[3-[1-(benzenesulfonyl)pyrazol-3-yl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine, 2-{3-[1-(benzenesulfonyl)-1H-pyrazol-3-yl]phenoxy}-3-chloro-5-(trifluoromethyl)pyridine, 3-chloro-2-{3-[1-(phenylsulfonyl)-1H-pyrazol-3-yl]phenoxy}-5-(trifluoromethyl)pyridine
| Molecular Formula | C21H13ClF3N3O3S |
|---|---|
| Molecular Weight | 479.03 g/mol |
| LogP | 5.6466 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.03183 |
| Heavy Atoms | 32 |
| Complexity | 1373.8079 |
Chemical Identifiers
| CAS Number | 321385-86-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=N2)C3=CC(=CC=C3)OC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
11E-044 (CAS 321385-86-8), with molecular formula C21H13ClF3N3O3S and molecular weight 479.03 g/mol. IUPAC: 2-[3-[1-(benzenesulfonyl)pyrazol-3-yl]phenoxy]-3-chloro-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 11E-044
Property Insights of 11E-044
The XLogP value of 5.6466 indicates that 11E-044 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 11E-044. Following Lipinski's Rule of Five, 11E-044 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 11E-044?
The CAS number of 11E-044 is 321385-86-8.
What is the molecular formula of 11E-044?
The molecular formula of 11E-044 is C21H13ClF3N3O3S.
What is the molecular weight of 11E-044?
The molecular weight of 11E-044 is 479.03 g/mol.
Where can I buy 11E-044?
You can request a quote for 11E-044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11E-044?
Yes, KEHONG BIO provides custom synthesis services for 11E-044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.