RefChem:72879
TL;DR: RefChem:72879 (CAS 67893-49-6) is a chemical compound with molecular formula C16H11N3Na2O6S2 and molecular weight 450.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;7-[(4-aminophenyl)diazenyl]naphthalene-1,3-disulfonate
Also Known As: 7-(4-Aminophenylazo)-1,3-naphthalenedisulfonic acid, disodium salt, 1,3-Naphthalenedisulfonic acid, 7-((4-aminophenyl)azo)-, disodium salt, disodium 7-[(4-aminophenyl)diazenyl]naphthalene-1,3-disulfonate, 1,3-Naphthalenedisulfonic acid, 7-(2-(4-aminophenyl)diazenyl)-, sodium salt (1:2), Disodium 7-[(4-aminophenyl)azo]naphthalene-1,3-disulfonate
| Molecular Formula | C16H11N3Na2O6S2 |
|---|---|
| Molecular Weight | 450.99 g/mol |
| LogP | -3.35 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 450.98846 |
| Heavy Atoms | 29 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 67893-49-6 |
|---|---|
| SMILES | C1=CC(=CC=C1N)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | GUUOUNHZVBVBSE-UHFFFAOYSA-L |
Product Overview
RefChem:72879 (CAS 67893-49-6), with molecular formula C16H11N3Na2O6S2 and molecular weight 450.99 g/mol. IUPAC: disodium;7-[(4-aminophenyl)diazenyl]naphthalene-1,3-disulfonate.
Chemical Property Profile of RefChem:72879
Property Insights of RefChem:72879
The XLogP value of -3.35 indicates that RefChem:72879 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 182.0 Ų indicates high polarity, suggesting RefChem:72879 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72879 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 RefChem:72879?
The CAS number of RefChem:72879 is 67893-49-6.
What is the molecular formula of RefChem:72879?
The molecular formula of RefChem:72879 is C16H11N3Na2O6S2.
What is the molecular weight of RefChem:72879?
The molecular weight of RefChem:72879 is 450.99 g/mol.
Where can I buy RefChem:72879?
You can request a quote for RefChem:72879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72879?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.