2E-045S
TL;DR: 2E-045S (CAS 338395-11-2) is a chemical compound with molecular formula C19H13F9N2O5 and molecular weight 520.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino] N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: 2E-045S, [[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino] N-[3-(trifluoromethyl)phenyl]carbamate, 2,5-bis(2,2,2-trifluoroethoxy)-N-({[3-(trifluoromethyl)anilino]carbonyl}oxy)benzenecarboxamide, [2,5-bis(2,2,2-trifluoroethoxy)phenyl]formamido N-[3-(trifluoromethyl)phenyl]carbamate, [2,5-bis(2,2,2-trifluoroethoxy)phenyl]formamidoN-[3-(trifluoromethyl)phenyl]carbamate
| Molecular Formula | C19H13F9N2O5 |
|---|---|
| Molecular Weight | 520.07 g/mol |
| LogP | 5.4811 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.06805 |
| Heavy Atoms | 35 |
| Complexity | 1052.2299 |
Chemical Identifiers
| CAS Number | 338395-11-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)ONC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)C(F)(F)F |
Product Overview
2E-045S (CAS 338395-11-2), with molecular formula C19H13F9N2O5 and molecular weight 520.07 g/mol. IUPAC: [[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino] N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of 2E-045S
Property Insights of 2E-045S
The XLogP value of 5.4811 indicates that 2E-045S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2E-045S. Following Lipinski's Rule of Five, 2E-045S has 2 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 2E-045S?
The CAS number of 2E-045S is 338395-11-2.
What is the molecular formula of 2E-045S?
The molecular formula of 2E-045S is C19H13F9N2O5.
What is the molecular weight of 2E-045S?
The molecular weight of 2E-045S is 520.07 g/mol.
Where can I buy 2E-045S?
You can request a quote for 2E-045S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2E-045S?
Yes, KEHONG BIO provides custom synthesis services for 2E-045S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.