E 111
TL;DR: E 111 (CAS 2347-72-0) is a chemical compound with molecular formula C16H10N2Na2O7S2 and molecular weight 451.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;6-hydroxy-5-[(3-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
Also Known As: Food orange 2, Disodium salt, Orange GGN, C.I. FOOD ORANGE 2, CI 15980
| Molecular Formula | C16H10N2Na2O7S2 |
|---|---|
| Molecular Weight | 451.97 g/mol |
| LogP | -3.22 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.97247 |
| Heavy Atoms | 29 |
| Complexity | 730.0 |
Chemical Identifiers
| CAS Number | 2347-72-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+].[Na+] |
| InChIKey | CECHAJXICNIUQL-UHFFFAOYSA-L |
Product Overview
E 111 (CAS 2347-72-0), with molecular formula C16H10N2Na2O7S2 and molecular weight 451.97 g/mol. IUPAC: disodium;6-hydroxy-5-[(3-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate.
Chemical Property Profile of E 111
Property Insights of E 111
The XLogP value of -3.22 indicates that E 111 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting E 111 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, E 111 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of E 111?
The CAS number of E 111 is 2347-72-0.
What is the molecular formula of E 111?
The molecular formula of E 111 is C16H10N2Na2O7S2.
What is the molecular weight of E 111?
The molecular weight of E 111 is 451.97 g/mol.
Where can I buy E 111?
You can request a quote for E 111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E 111?
Yes, KEHONG BIO provides custom synthesis services for E 111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.