Mefluidide-diolamine
TL;DR: Mefluidide-diolamine (CAS 53780-36-2) is a chemical compound with molecular formula C15H24F3N3O5S and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]acetamide;2-(2-hydroxyethylamino)ethanol
Also Known As: Mefluidide-diolamine, Diethanolamine mefluidide, Embark (2-S), Mefluidide DEA, Caswell No. 333AA
| Molecular Formula | C15H24F3N3O5S |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 1.08 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.1389 |
| Heavy Atoms | 27 |
| Complexity | 487.0 |
| Melting Point | 106-108 °C |
| Density | 0.69 g/cu cm at 25 °C |
| Solubility | In water, 556 mg/g at 25 °C |
| Vapor Pressure | <1.0X10-7 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 53780-36-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1NC(=O)C)NS(=O)(=O)C(F)(F)F)C.C(CO)NCCO |
| InChIKey | JDMXBYDZNLFFCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mefluidide-diolamine (CAS 53780-36-2), with molecular formula C15H24F3N3O5S and molecular weight 415.14 g/mol. IUPAC: N-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]acetamide;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Mefluidide-diolamine
Property Insights of Mefluidide-diolamine
The XLogP value of 1.08 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mefluidide-diolamine. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mefluidide-diolamine. Following Lipinski's Rule of Five, Mefluidide-diolamine has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mefluidide-diolamine?
The CAS number of Mefluidide-diolamine is 53780-36-2.
What is the molecular formula of Mefluidide-diolamine?
The molecular formula of Mefluidide-diolamine is C15H24F3N3O5S.
What is the molecular weight of Mefluidide-diolamine?
The molecular weight of Mefluidide-diolamine is 415.14 g/mol.
Where can I buy Mefluidide-diolamine?
You can request a quote for Mefluidide-diolamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mefluidide-diolamine?
Yes, KEHONG BIO provides custom synthesis services for Mefluidide-diolamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.