Ppnds
TL;DR: Ppnds (CAS 1021868-77-8) is a chemical compound with molecular formula C18H11N4Na4O14PS2 and molecular weight 693.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;3-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)-2-pyridinyl]diazenyl]-7-nitronaphthalene-1,5-disulfonate
Also Known As: PPNDS, PPNDS tetrasodium, PPNDS (tetrasodium), Lopac-P-2738, Tox21_500937
| Molecular Formula | C18H11N4Na4O14PS2 |
|---|---|
| Molecular Weight | 693.90 g/mol |
| LogP | -11.44558 |
| Topological Polar Surface Area | 304.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 693.9042 |
| Heavy Atoms | 43 |
| Complexity | 1853.6431 |
Chemical Identifiers
| CAS Number | 1021868-77-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)N=NC2=CC3=C(C=C(C=C3S(=O)(=O)[O-])[N+](=O)[O-])C(=C2)S(=O)(=O)[O-])COP(=O)([O-])[O-])C=O)O.[Na+].[Na+].[Na+].[Na+] |
Product Overview
Ppnds (CAS 1021868-77-8), with molecular formula C18H11N4Na4O14PS2 and molecular weight 693.90 g/mol. IUPAC: tetrasodium;3-[[4-formyl-5-hydroxy-6-methyl-3-(phosphonatooxymethyl)-2-pyridinyl]diazenyl]-7-nitronaphthalene-1,5-disulfonate.
Chemical Property Profile of Ppnds
Property Insights of Ppnds
The XLogP value of -11.44558 indicates that Ppnds is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 304.87 Ų indicates high polarity, suggesting Ppnds may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ppnds has 1 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ppnds?
The CAS number of Ppnds is 1021868-77-8.
What is the molecular formula of Ppnds?
The molecular formula of Ppnds is C18H11N4Na4O14PS2.
What is the molecular weight of Ppnds?
The molecular weight of Ppnds is 693.90 g/mol.
Where can I buy Ppnds?
You can request a quote for Ppnds directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ppnds?
Yes, KEHONG BIO provides custom synthesis services for Ppnds and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.