Direct Blue 3 free acid
TL;DR: Direct Blue 3 free acid (CAS 25180-20-5) is a chemical compound with molecular formula C34H27N5O8S2 and molecular weight 697.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2-sulfonic acid
Also Known As: Direct Blue 3 free acid, CI direct Blue 3 free acid, C.i. direct Blue 3 free acid, 1-Naphthalenesulfonic acid, 3-(2-(4'-(2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-, 3-(2-(4'-(2-(6-Amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-1-naphthalenesulfonic acid
| Molecular Formula | C34H27N5O8S2 |
|---|---|
| Molecular Weight | 697.13 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 241.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 697.1301 |
| Heavy Atoms | 49 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 25180-20-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C=CC4=C3O)N)S(=O)(=O)O)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)O |
| InChIKey | HUCQGVZBBHHYNU-UHFFFAOYSA-N |
Product Overview
Direct Blue 3 free acid (CAS 25180-20-5), with molecular formula C34H27N5O8S2 and molecular weight 697.13 g/mol. IUPAC: 7-amino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2-sulfonic acid.
Chemical Property Profile of Direct Blue 3 free acid
Property Insights of Direct Blue 3 free acid
The XLogP value of 6.4 indicates that Direct Blue 3 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 241.0 Ų indicates high polarity, suggesting Direct Blue 3 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Blue 3 free acid has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Direct Blue 3 free acid?
The CAS number of Direct Blue 3 free acid is 25180-20-5.
What is the molecular formula of Direct Blue 3 free acid?
The molecular formula of Direct Blue 3 free acid is C34H27N5O8S2.
What is the molecular weight of Direct Blue 3 free acid?
The molecular weight of Direct Blue 3 free acid is 697.13 g/mol.
Where can I buy Direct Blue 3 free acid?
You can request a quote for Direct Blue 3 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Direct Blue 3 free acid?
Yes, KEHONG BIO provides custom synthesis services for Direct Blue 3 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.