Ppaps
TL;DR: Ppaps (CAS 121864-87-7) is a chemical compound with molecular formula C14H14N3O9PS and molecular weight 431.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)-2-pyridinyl]diazenyl]benzenesulfonic acid
Also Known As: PPAPS, Pyridoxal phosphate-6-azophenyl-2'-sulfonic acid, pyridoxal phosphate-6-azophenyl-2/'-sulfonic acid, 2-[(2E)-2-[4-formyl-6-methyl-5-oxo-3-(phosphonooxymethyl)pyridin-2-ylidene]hydrazinyl]benzenesulfonic acid, 2-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzenesulfonic acid
| Molecular Formula | C14H14N3O9PS |
|---|---|
| Molecular Weight | 431.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.01883 |
| Heavy Atoms | 28 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 121864-87-7 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)N=NC2=CC=CC=C2S(=O)(=O)O)COP(=O)(O)O)C=O)O |
| InChIKey | YQTIJYMEQKTAAZ-UHFFFAOYSA-N |
Product Overview
Ppaps (CAS 121864-87-7), with molecular formula C14H14N3O9PS and molecular weight 431.02 g/mol. IUPAC: 2-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonooxymethyl)-2-pyridinyl]diazenyl]benzenesulfonic acid.
Chemical Property Profile of Ppaps
Property Insights of Ppaps
The XLogP value of -0.2 indicates that Ppaps is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.0 Ų indicates high polarity, suggesting Ppaps may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ppaps has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ppaps?
The CAS number of Ppaps is 121864-87-7.
What is the molecular formula of Ppaps?
The molecular formula of Ppaps is C14H14N3O9PS.
What is the molecular weight of Ppaps?
The molecular weight of Ppaps is 431.02 g/mol.
Where can I buy Ppaps?
You can request a quote for Ppaps directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ppaps?
Yes, KEHONG BIO provides custom synthesis services for Ppaps and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.