Phosphorpyridoxyltrifluoroethylamine
TL;DR: Phosphorpyridoxyltrifluoroethylamine (CAS 59087-85-3) is a chemical compound with molecular formula C10H14F3N2O5P and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]methyl dihydrogen phosphate
Also Known As: Phosphorpyridoxyltrifluoroethylamine, Antimony germanium sulfide, (5-hydroxy-6-methyl-4-{[(2,2,2-trifluoroethyl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, [5-hydroxy-6-methyl-4-[(2,2,2-trifluoroethylamino)methyl]pyridin-3-yl]methyl dihydrogen phosphate, 3-Pyridinemethanol, 5-hydroxy-6-methyl-4-(((2,2,2-trifluoroethyl)amino)methyl)-, alpha-(dihydrogen phosphate)
| Molecular Formula | C10H14F3N2O5P |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.05923 |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 59087-85-3 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CNCC(F)(F)F)COP(=O)(O)O |
| InChIKey | UYWNWALJDANYTG-UHFFFAOYSA-N |
Product Overview
Phosphorpyridoxyltrifluoroethylamine (CAS 59087-85-3), with molecular formula C10H14F3N2O5P and molecular weight 330.06 g/mol. IUPAC: [5-hydroxy-6-methyl-4-[(2,2,2-trifluoroethylamino)methyl]-3-pyridinyl]methyl dihydrogen phosphate.
Chemical Property Profile of Phosphorpyridoxyltrifluoroethylamine
Property Insights of Phosphorpyridoxyltrifluoroethylamine
The XLogP value of -2.8 indicates that Phosphorpyridoxyltrifluoroethylamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorpyridoxyltrifluoroethylamine. Following Lipinski's Rule of Five, Phosphorpyridoxyltrifluoroethylamine has 4 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 Phosphorpyridoxyltrifluoroethylamine?
The CAS number of Phosphorpyridoxyltrifluoroethylamine is 59087-85-3.
What is the molecular formula of Phosphorpyridoxyltrifluoroethylamine?
The molecular formula of Phosphorpyridoxyltrifluoroethylamine is C10H14F3N2O5P.
What is the molecular weight of Phosphorpyridoxyltrifluoroethylamine?
The molecular weight of Phosphorpyridoxyltrifluoroethylamine is 330.06 g/mol.
Where can I buy Phosphorpyridoxyltrifluoroethylamine?
You can request a quote for Phosphorpyridoxyltrifluoroethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorpyridoxyltrifluoroethylamine?
Yes, KEHONG BIO provides custom synthesis services for Phosphorpyridoxyltrifluoroethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.