RefChem:551539
TL;DR: RefChem:551539 (CAS 71173-75-6) is a chemical compound with molecular formula C18H20F3N3O3S and molecular weight 415.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-methyl-N-[[2-(methylamino)-5-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
Also Known As: N-Methyl-N-trifluoroacetyl-2-methylamino-5-(4-methylbenzenesulfonamido)benzenemethanamine, Acetamide, 2,2,2-trifluoro-N-methyl-N-[[2-(methylamino)-5-[[(4-methylphenyl)sulfonyl]amino]phenyl]methyl]-, Acetamide, 2,2,2-trifluoro-N-methyl-N-((2-(methylamino)-5-(((4-methylphenyl)sulfonyl)amino)phenyl)methyl)-, ACETAMIDE,2,2,2-TRIFLUORO-N-METHYL-N-[[2-(METHYLAMINO)-5-[[(4-METHYLPHENYL)SULFONYL]AMINO]PHENYL]METHYL]-, 2,2,2-trifluoro-N-methyl-N-[[2-(methylamino)-5-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
| Molecular Formula | C18H20F3N3O3S |
|---|---|
| Molecular Weight | 415.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.11774 |
| Heavy Atoms | 28 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 71173-75-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NC)CN(C)C(=O)C(F)(F)F |
| InChIKey | SEFXDWDSQVWXEL-UHFFFAOYSA-N |
Product Overview
RefChem:551539 (CAS 71173-75-6), with molecular formula C18H20F3N3O3S and molecular weight 415.12 g/mol. IUPAC: 2,2,2-trifluoro-N-methyl-N-[[2-(methylamino)-5-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide.
Chemical Property Profile of RefChem:551539
Property Insights of RefChem:551539
The XLogP value of 3.2 indicates that RefChem:551539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:551539. Following Lipinski's Rule of Five, RefChem:551539 has 2 hydrogen bond donor(s) and 8 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 RefChem:551539?
The CAS number of RefChem:551539 is 71173-75-6.
What is the molecular formula of RefChem:551539?
The molecular formula of RefChem:551539 is C18H20F3N3O3S.
What is the molecular weight of RefChem:551539?
The molecular weight of RefChem:551539 is 415.12 g/mol.
Where can I buy RefChem:551539?
You can request a quote for RefChem:551539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:551539?
Yes, KEHONG BIO provides custom synthesis services for RefChem:551539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.