3E-317S
TL;DR: 3E-317S (CAS 338404-48-1) is a chemical compound with molecular formula C20H16Cl2F6N2O4 and molecular weight 532.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]-3,4-dichlorobenzamide
Also Known As: 3E-317S, N-{2-[(3,4-dichlorobenzoyl)amino]ethyl}-2,5-bis(2,2,2-trifluoroethoxy)benzenecarboxamide, N-[2-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]-3,4-dichlorobenzamide, N-{2-[(3,4-dichlorophenyl)formamido]ethyl}-2,5-bis(2,2,2-trifluoroethoxy)benzamide, N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
| Molecular Formula | C20H16Cl2F6N2O4 |
|---|---|
| Molecular Weight | 532.04 g/mol |
| LogP | 5.0354 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 532.0391 |
| Heavy Atoms | 34 |
| Complexity | 1031.0989 |
Chemical Identifiers
| CAS Number | 338404-48-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)NCCNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F)Cl)Cl |
Product Overview
3E-317S (CAS 338404-48-1), with molecular formula C20H16Cl2F6N2O4 and molecular weight 532.04 g/mol. IUPAC: N-[2-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]ethyl]-3,4-dichlorobenzamide.
Chemical Property Profile of 3E-317S
Property Insights of 3E-317S
The XLogP value of 5.0354 indicates that 3E-317S 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-317S. Following Lipinski's Rule of Five, 3E-317S 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-317S?
The CAS number of 3E-317S is 338404-48-1.
What is the molecular formula of 3E-317S?
The molecular formula of 3E-317S is C20H16Cl2F6N2O4.
What is the molecular weight of 3E-317S?
The molecular weight of 3E-317S is 532.04 g/mol.
Where can I buy 3E-317S?
You can request a quote for 3E-317S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3E-317S?
Yes, KEHONG BIO provides custom synthesis services for 3E-317S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.