FC 117
TL;DR: FC 117 (CAS 31374-18-2) is a chemical compound with molecular formula C21H29BrN2O2S and molecular weight 452.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide bromide
Also Known As: FC 117, KST-1B2982, Piperidinium, 1-(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)-1-methyl-, bromide, 1-(2-{[hydroxy(phenyl)thiophen-2-ylacetyl](methyl)amino}ethyl)-1-methylpiperidinium bromide, Piperidinium, 1-[2-[(hydroxyphenyl-2-thienylacetyl)methylamino]ethyl]-1-methyl-, bromide
| Molecular Formula | C21H29BrN2O2S |
|---|---|
| Molecular Weight | 452.11 g/mol |
| LogP | 0.0769 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.1133 |
| Heavy Atoms | 27 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 31374-18-2 |
|---|---|
| SMILES | CN(CC[N+]1(CCCCC1)C)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-] |
| InChIKey | OJNCFUCHMPHGBE-UHFFFAOYSA-M |
Product Overview
FC 117 (CAS 31374-18-2), with molecular formula C21H29BrN2O2S and molecular weight 452.11 g/mol. IUPAC: 2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide bromide.
Chemical Property Profile of FC 117
Property Insights of FC 117
The XLogP value of 0.0769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FC 117. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for FC 117. Following Lipinski's Rule of Five, FC 117 has 1 hydrogen bond donor(s) and 4 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 FC 117?
The CAS number of FC 117 is 31374-18-2.
What is the molecular formula of FC 117?
The molecular formula of FC 117 is C21H29BrN2O2S.
What is the molecular weight of FC 117?
The molecular weight of FC 117 is 452.11 g/mol.
Where can I buy FC 117?
You can request a quote for FC 117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FC 117?
Yes, KEHONG BIO provides custom synthesis services for FC 117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.