1E-001
TL;DR: 1E-001 (CAS 321522-19-4) is a chemical compound with molecular formula C17H11Cl2F3N2O4S and molecular weight 465.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl] 4-(3,4-dichloro-1-methylpyrazol-5-yl)oxybenzenesulfonate
Also Known As: 1E-001, 3-(trifluoromethyl)phenyl 4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzenesulfonate, [3-(trifluoromethyl)phenyl] 4-(4,5-dichloro-2-methylpyrazol-3-yl)oxybenzenesulfonate, 3,4-dichloro-1-methyl-5-[4-[3-(trifluoromethyl)phenoxy]sulfonylphenoxy]pyrazole, 3-(trifluoromethyl)phenyl 4-[(3,4-dichloro-1-methyl-1H-pyrazol-5-yl)oxy]benzene-1-sulfonate
| Molecular Formula | C17H11Cl2F3N2O4S |
|---|---|
| Molecular Weight | 465.98 g/mol |
| LogP | 5.3057 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.97687 |
| Heavy Atoms | 29 |
| Complexity | 1146.475 |
Chemical Identifiers
| CAS Number | 321522-19-4 |
|---|---|
| SMILES | CN1C(=C(C(=N1)Cl)Cl)OC2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)C(F)(F)F |
Product Overview
1E-001 (CAS 321522-19-4), with molecular formula C17H11Cl2F3N2O4S and molecular weight 465.98 g/mol. IUPAC: [3-(trifluoromethyl)phenyl] 4-(3,4-dichloro-1-methylpyrazol-5-yl)oxybenzenesulfonate.
Chemical Property Profile of 1E-001
Property Insights of 1E-001
The XLogP value of 5.3057 indicates that 1E-001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1E-001. Following Lipinski's Rule of Five, 1E-001 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 1E-001?
The CAS number of 1E-001 is 321522-19-4.
What is the molecular formula of 1E-001?
The molecular formula of 1E-001 is C17H11Cl2F3N2O4S.
What is the molecular weight of 1E-001?
The molecular weight of 1E-001 is 465.98 g/mol.
Where can I buy 1E-001?
You can request a quote for 1E-001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1E-001?
Yes, KEHONG BIO provides custom synthesis services for 1E-001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.