Allura Red AC
TL;DR: Allura Red AC (CAS 149440-01-7) is a chemical compound with molecular formula C18H16N2O8S2 and molecular weight 452.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Also Known As: Allura Red AC, Curry red, Allura Red, Allura red AC dye, Food red 17
| Molecular Formula | C18H16N2O8S2 |
|---|---|
| Molecular Weight | 452.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.03482 |
| Heavy Atoms | 30 |
| Complexity | 835.0 |
Chemical Identifiers
| CAS Number | 149440-01-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)O)OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O |
| InChIKey | UQWIHFJXDRNUDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allura Red AC (CAS 149440-01-7), with molecular formula C18H16N2O8S2 and molecular weight 452.03 g/mol. IUPAC: 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid.
Chemical Property Profile of Allura Red AC
Property Insights of Allura Red AC
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allura Red AC. The TPSA of 180.0 Ų indicates high polarity, suggesting Allura Red AC may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Allura Red AC has 3 hydrogen bond donor(s) and 10 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 Allura Red AC?
The CAS number of Allura Red AC is 149440-01-7.
What is the molecular formula of Allura Red AC?
The molecular formula of Allura Red AC is C18H16N2O8S2.
What is the molecular weight of Allura Red AC?
The molecular weight of Allura Red AC is 452.03 g/mol.
Where can I buy Allura Red AC?
You can request a quote for Allura Red AC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allura Red AC?
Yes, KEHONG BIO provides custom synthesis services for Allura Red AC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.