3E-313S
TL;DR: 3E-313S (CAS 338404-44-7) is a chemical compound with molecular formula C21H17F9N2O4 and molecular weight 532.10 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)-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
Also Known As: 3E-313S, 2,5-bis(2,2,2-trifluoroethoxy)-N-(2-{[3-(trifluoromethyl)benzoyl]amino}ethyl)benzenecarboxamide, 2,5-bis(2,2,2-trifluoroethoxy)-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide, 2,5-bis(2,2,2-trifluoroethoxy)-N-(2-{[3-(trifluoromethyl)phenyl]formamido}ethyl)benzamide
| Molecular Formula | C21H17F9N2O4 |
|---|---|
| Molecular Weight | 532.10 g/mol |
| LogP | 4.7474 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.10443 |
| Heavy Atoms | 36 |
| Complexity | 1066.5739 |
Chemical Identifiers
| CAS Number | 338404-44-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F |
Product Overview
3E-313S (CAS 338404-44-7), with molecular formula C21H17F9N2O4 and molecular weight 532.10 g/mol. IUPAC: 2,5-bis(2,2,2-trifluoroethoxy)-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide.
Chemical Property Profile of 3E-313S
Property Insights of 3E-313S
The XLogP value of 4.7474 indicates that 3E-313S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3E-313S. Following Lipinski's Rule of Five, 3E-313S has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3E-313S?
The CAS number of 3E-313S is 338404-44-7.
What is the molecular formula of 3E-313S?
The molecular formula of 3E-313S is C21H17F9N2O4.
What is the molecular weight of 3E-313S?
The molecular weight of 3E-313S is 532.10 g/mol.
Where can I buy 3E-313S?
You can request a quote for 3E-313S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3E-313S?
Yes, KEHONG BIO provides custom synthesis services for 3E-313S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.