alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate
TL;DR: alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate (CAS 72156-20-8) is a chemical compound with molecular formula C17H19FN5O11P and molecular weight 519.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-fluoro-2,4-dinitroanilino)-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]propanoic acid
Also Known As: Fpd-pdap, alpha-N-Fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate, 2-(5-fluoro-2,4-dinitroanilino)-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid, Alanine, N-(5-fluoro-2,4-dinitrophenyl)-3-(((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)amino)-, DL-Alanine, N-(5-fluoro-2,4-dinitrophenyl)-3-(((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)amino)-
| Molecular Formula | C17H19FN5O11P |
|---|---|
| Molecular Weight | 519.08 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 519.08026 |
| Heavy Atoms | 35 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 72156-20-8 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CNCC(C(=O)O)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F)COP(=O)(O)O |
| InChIKey | RZSMEIDEKOZVTD-UHFFFAOYSA-N |
Product Overview
alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate (CAS 72156-20-8), with molecular formula C17H19FN5O11P and molecular weight 519.08 g/mol. IUPAC: 2-(5-fluoro-2,4-dinitroanilino)-3-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]propanoic acid.
Chemical Property Profile of alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate
Property Insights of alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate
The XLogP value of -1.8 indicates that alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 253.0 Ų indicates high polarity, suggesting alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate?
The CAS number of alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate is 72156-20-8.
What is the molecular formula of alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate?
The molecular formula of alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate is C17H19FN5O11P.
What is the molecular weight of alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate?
The molecular weight of alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate is 519.08 g/mol.
Where can I buy alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate?
You can request a quote for alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate?
Yes, KEHONG BIO provides custom synthesis services for alpha-N-fluorodinitrophenyl-beta-N-phosphopyridoxyldiaminopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.