EINECS 229-211-8
TL;DR: EINECS 229-211-8 (CAS 72245-54-6) is a chemical compound with molecular formula C42H25N7Na4O13S4 and molecular weight 1055.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;(3Z)-7-anilino-4-oxo-3-[[6-sulfonato-4-[[6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate
Also Known As: EINECS 229-211-8, C.I. Direct Blue 75, tetrasodium salt, 2-Naphthalenesulfonic acid, 5-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-8-[[6-sulfo-4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, sodium salt, 2-Naphthalenesulfonic acid, 5-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-8-((6-sulfo-4-((3-sulfophenyl)azo)-1-naphthalenyl)azo)-, sodium salt, 2-Naphthalenesulfonic acid, 5-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-8-((6-sulfo-4-((3-sulfophenyl)azo)-1-naphthalenyl)azo)-, tetrasodium salt
| Molecular Formula | C42H25N7Na4O13S4 |
|---|---|
| Molecular Weight | 1055.00 g/mol |
| LogP | -4.1538 |
| Topological Polar Surface Area | 331.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 1054.9984 |
| Heavy Atoms | 70 |
| Complexity | 3810.3247 |
Chemical Identifiers
| CAS Number | 72245-54-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC3=C(C=C2)C(=O)/C(=N/NC4=C5C=CC(=CC5=C(C=C4)N=NC6=C7C=CC(=CC7=C(C=C6)N=NC8=CC(=CC=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
Product Overview
EINECS 229-211-8 (CAS 72245-54-6), with molecular formula C42H25N7Na4O13S4 and molecular weight 1055.00 g/mol. IUPAC: tetrasodium;(3Z)-7-anilino-4-oxo-3-[[6-sulfonato-4-[[6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]hydrazinylidene]naphthalene-2-sulfonate.
Chemical Property Profile of EINECS 229-211-8
Property Insights of EINECS 229-211-8
The XLogP value of -4.1538 indicates that EINECS 229-211-8 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 331.73 Ų indicates high polarity, suggesting EINECS 229-211-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 229-211-8 has 2 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 229-211-8?
The CAS number of EINECS 229-211-8 is 72245-54-6.
What is the molecular formula of EINECS 229-211-8?
The molecular formula of EINECS 229-211-8 is C42H25N7Na4O13S4.
What is the molecular weight of EINECS 229-211-8?
The molecular weight of EINECS 229-211-8 is 1055.00 g/mol.
Where can I buy EINECS 229-211-8?
You can request a quote for EINECS 229-211-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-211-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-211-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.