PPADS (tetrasodium)
TL;DR: PPADS (tetrasodium) (CAS 149017-66-3) is a chemical compound with molecular formula C14H10N3Na4O12PS2 and molecular weight 598.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)-2-pyridinyl]diazenyl]benzene-1,3-disulfonate
Also Known As: PPADS (tetrasodium), PPADS TETRASODIUM SALT, PPADS 4 Na, Pyridoxal phosphate-6-azo(benzene-2,4-disulfonic acid) tetrasodium salt, tetrasodium;4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonate
| Molecular Formula | C14H10N3Na4O12PS2 |
|---|---|
| Molecular Weight | 598.90 g/mol |
| LogP | -12.51 |
| Topological Polar Surface Area | 278.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 598.90344 |
| Heavy Atoms | 36 |
| Complexity | 975.0 |
Chemical Identifiers
| CAS Number | 149017-66-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])COP(=O)([O-])[O-])C=O)O.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | KURWUCJJNVPCHT-UHFFFAOYSA-J |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PPADS (tetrasodium) (CAS 149017-66-3), with molecular formula C14H10N3Na4O12PS2 and molecular weight 598.90 g/mol. IUPAC: tetrasodium;4-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)-2-pyridinyl]diazenyl]benzene-1,3-disulfonate.
Chemical Property Profile of PPADS (tetrasodium)
Property Insights of PPADS (tetrasodium)
The XLogP value of -12.51 indicates that PPADS (tetrasodium) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 278.0 Ų indicates high polarity, suggesting PPADS (tetrasodium) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PPADS (tetrasodium) has 1 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 PPADS (tetrasodium)?
The CAS number of PPADS (tetrasodium) is 149017-66-3.
What is the molecular formula of PPADS (tetrasodium)?
The molecular formula of PPADS (tetrasodium) is C14H10N3Na4O12PS2.
What is the molecular weight of PPADS (tetrasodium)?
The molecular weight of PPADS (tetrasodium) is 598.90 g/mol.
Where can I buy PPADS (tetrasodium)?
You can request a quote for PPADS (tetrasodium) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PPADS (tetrasodium)?
Yes, KEHONG BIO provides custom synthesis services for PPADS (tetrasodium) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.