pentasodium
TL;DR: pentasodium (CAS 70210-47-8) is a chemical compound with molecular formula C40H23ClN11Na5O18S5 and molecular weight 1254.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentasodium;7-[[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonate
Also Known As: pentasodium, C.I. Reactive Green 8, EINECS 274-445-6, 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(2-((aminocarbonyl)amino)-4-((4-((5-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-2-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)diazenyl)-, sodium salt (1:5), 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-((5-((4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino)-2-sulfophenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)phenyl)azo)-, pentasodium salt
| Molecular Formula | C40H23ClN11Na5O18S5 |
|---|---|
| Molecular Weight | 1254.90 g/mol |
| LogP | -11.2869 |
| Topological Polar Surface Area | 500.76 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 14 |
| Exact Mass | 1254.9003 |
| Heavy Atoms | 80 |
| Complexity | 4364.451 |
Chemical Identifiers
| CAS Number | 70210-47-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)NC6=CC(=C(C=C6)N=NC7=CC8=C(C=C(C=C8C=C7S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)N)Cl)S(=O)(=O)[O-])N.[Na+].[Na+].[Na+].[Na+].[Na+] |
Product Overview
pentasodium (CAS 70210-47-8), with molecular formula C40H23ClN11Na5O18S5 and molecular weight 1254.90 g/mol. IUPAC: pentasodium;7-[[4-[[4-[5-[(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)amino]-2-sulfonatoanilino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(carbamoylamino)phenyl]diazenyl]naphthalene-1,3,6-trisulfonate.
Chemical Property Profile of pentasodium
Property Insights of pentasodium
The XLogP value of -11.2869 indicates that pentasodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 500.76 Ų indicates high polarity, suggesting pentasodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pentasodium has 6 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of pentasodium?
The CAS number of pentasodium is 70210-47-8.
What is the molecular formula of pentasodium?
The molecular formula of pentasodium is C40H23ClN11Na5O18S5.
What is the molecular weight of pentasodium?
The molecular weight of pentasodium is 1254.90 g/mol.
Where can I buy pentasodium?
You can request a quote for pentasodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pentasodium?
Yes, KEHONG BIO provides custom synthesis services for pentasodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.