RefChem:319305
TL;DR: RefChem:319305 (CAS 26058-51-5) is a chemical compound with molecular formula C25H31BrN2O2S and molecular weight 502.12897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-methylamino]ethyl-dimethyl-(2-phenylethyl)azanium bromide
Also Known As: FC 111, Ammonium, dimethyl(2-(N-methyl-alpha-2-thienylmandelamido)ethyl)phenethyl-, bromide, Ammonium, dimethyl(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)phenethyl-, bromide, 2-[(2-hydroxy-2-phenyl-2-thiophen-2-ylacetyl)-methylamino]ethyl-dimethyl-phenethylazanium bromide, 2-[2-Hydroxy-N-methyl-2-phenyl-2-(thiophen-2-yl)acetamido]-N,N-dimethyl-N-(2-phenylethyl)ethan-1-aminium bromide
Technical Specifications
| Molecular Formula | C25H31BrN2O2S |
| Molecular Weight | 502.12897 g/mol |
| XLogP | 0.77 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.12897 Da |
| Heavy Atoms | 31 |
| Complexity | 543.0 |
| SMILES | CN(CC[N+](C)(C)CCC1=CC=CC=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-] |
| InChIKey | CUHZJLGLMGNJRB-UHFFFAOYSA-M |
Chemical Property Profile of RefChem:319305
Property Insights of RefChem:319305
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319305. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:319305. Following Lipinski's Rule of Five, RefChem:319305 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:319305?
The CAS number of RefChem:319305 is 26058-51-5.
What is the molecular formula of RefChem:319305?
The molecular formula of RefChem:319305 is C25H31BrN2O2S.
What is the molecular weight of RefChem:319305?
The molecular weight of RefChem:319305 is 502.12897 g/mol.
Where can I buy RefChem:319305?
You can request a quote for RefChem:319305 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:319305?
Yes, CoreyChem provides custom synthesis services for RefChem:319305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.