Cetil Orange RR
TL;DR: Cetil Orange RR (CAS 5859-00-7) 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;3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate
Also Known As: Cetil Orange RR, Acid Orange R, Colacid Orange R, Acid Ponceau 2G, Kiton Ponceau 2G
| 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 | 724.0 |
Chemical Identifiers
| CAS Number | 5859-00-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | DFSHKBOXDAOYFD-UHFFFAOYSA-L |
Product Overview
Cetil Orange RR (CAS 5859-00-7), with molecular formula C16H10N2Na2O7S2 and molecular weight 451.97 g/mol. IUPAC: disodium;3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate.
Chemical Property Profile of Cetil Orange RR
Property Insights of Cetil Orange RR
The XLogP value of -3.22 indicates that Cetil Orange RR is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting Cetil Orange RR may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cetil Orange RR 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 Cetil Orange RR?
The CAS number of Cetil Orange RR is 5859-00-7.
What is the molecular formula of Cetil Orange RR?
The molecular formula of Cetil Orange RR is C16H10N2Na2O7S2.
What is the molecular weight of Cetil Orange RR?
The molecular weight of Cetil Orange RR is 451.97 g/mol.
Where can I buy Cetil Orange RR?
You can request a quote for Cetil Orange RR directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cetil Orange RR?
Yes, KEHONG BIO provides custom synthesis services for Cetil Orange RR and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.