RefChem:318801
TL;DR: RefChem:318801 (CAS 19447-71-3) is a chemical compound with molecular formula C12H21FNO6PS and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[fluoro(methyl)phosphoryl]oxyethyl-dimethyl-phenylazanium;methyl sulfate
Also Known As: Ammonium, (2-hydroxyethyl)dimethylphenyl-, methyl sulfate, ester with methylphosphinofluoridate, O-(2-(N-Methyl-N-phenylamino)ethyl)methyl-fluoro-phosphonate dimethyl sulfate, 2-[Fluoro(methyl)phosphoryl]oxyethyl-dimethyl-phenylazanium; methylsulfate, 2-[fluoro(methyl)phosphoryl]oxyethyl-dimethyl-phenylazanium; methyl sulfate, Ammonium, (2-hydroxyethyl)dimethylphenyl-, methyl sulfate, methylphosphonofluoridate
| Molecular Formula | C12H21FNO6PS |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 2.16 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.08112 |
| Heavy Atoms | 22 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 19447-71-3 |
|---|---|
| SMILES | C[N+](C)(CCOP(=O)(C)F)C1=CC=CC=C1.COS(=O)(=O)[O-] |
| InChIKey | IBJQTWGMSVQGLM-UHFFFAOYSA-M |
Product Overview
RefChem:318801 (CAS 19447-71-3), with molecular formula C12H21FNO6PS and molecular weight 357.08 g/mol. IUPAC: 2-[fluoro(methyl)phosphoryl]oxyethyl-dimethyl-phenylazanium;methyl sulfate.
Chemical Property Profile of RefChem:318801
Property Insights of RefChem:318801
The XLogP value of 2.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318801. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:318801. Following Lipinski's Rule of Five, RefChem:318801 has 0 hydrogen bond donor(s) and 7 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:318801?
The CAS number of RefChem:318801 is 19447-71-3.
What is the molecular formula of RefChem:318801?
The molecular formula of RefChem:318801 is C12H21FNO6PS.
What is the molecular weight of RefChem:318801?
The molecular weight of RefChem:318801 is 357.08 g/mol.
Where can I buy RefChem:318801?
You can request a quote for RefChem:318801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:318801?
Yes, KEHONG BIO provides custom synthesis services for RefChem:318801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.