Acid Blue 116
TL;DR: Acid Blue 116 (CAS 6406-30-0) is a chemical compound with molecular formula C32H21N5Na2O6S2 and molecular weight 681.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;8-anilino-5-[(4-phenyldiazenyl-7-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
Also Known As: Acid Blue 116, EINECS 229-026-2, C.I. Acid Blue 116, disodium salt, Acid blue 116 (C.I. 26380), Disodium 8-(phenylamino)-5-((4-(phenylazo)-7-sulphonato-1-naphthyl)azo)naphthalenesulphonate
| Molecular Formula | C32H21N5Na2O6S2 |
|---|---|
| Molecular Weight | 681.07 g/mol |
| LogP | 2.3836 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 681.0729 |
| Heavy Atoms | 47 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 6406-30-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C=C(C=CC5=C(C=C4)N=NC6=CC=CC=C6)S(=O)(=O)[O-])C=CC=C3S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | CEEVGWJZICQAEK-UHFFFAOYSA-L |
Product Overview
Acid Blue 116 (CAS 6406-30-0), with molecular formula C32H21N5Na2O6S2 and molecular weight 681.07 g/mol. IUPAC: disodium;8-anilino-5-[(4-phenyldiazenyl-7-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate.
Chemical Property Profile of Acid Blue 116
Property Insights of Acid Blue 116
The XLogP value of 2.3836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acid Blue 116. The TPSA of 193.0 Ų indicates high polarity, suggesting Acid Blue 116 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acid Blue 116 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acid Blue 116?
The CAS number of Acid Blue 116 is 6406-30-0.
What is the molecular formula of Acid Blue 116?
The molecular formula of Acid Blue 116 is C32H21N5Na2O6S2.
What is the molecular weight of Acid Blue 116?
The molecular weight of Acid Blue 116 is 681.07 g/mol.
Where can I buy Acid Blue 116?
You can request a quote for Acid Blue 116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acid Blue 116?
Yes, KEHONG BIO provides custom synthesis services for Acid Blue 116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.