Direct Blue 1 acid
TL;DR: Direct Blue 1 acid (CAS 3841-14-3) is a chemical compound with molecular formula C34H28N6O16S4 and molecular weight 904.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid
Also Known As: Direct Blue 1, Direct Blue 1 acid, Chicago Sky Blue, Pontamine sky blue, Sky Blue FF
| Molecular Formula | C34H28N6O16S4 |
|---|---|
| Molecular Weight | 904.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 411.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Exact Mass | 904.04443 |
| Heavy Atoms | 60 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 3841-14-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O |
| InChIKey | OHMJKMNGYYWCHB-UHFFFAOYSA-N |
Product Overview
Direct Blue 1 acid (CAS 3841-14-3), with molecular formula C34H28N6O16S4 and molecular weight 904.04 g/mol. IUPAC: 4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid.
Chemical Property Profile of Direct Blue 1 acid
Property Insights of Direct Blue 1 acid
The XLogP value of 3.6 indicates that Direct Blue 1 acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 411.0 Ų indicates high polarity, suggesting Direct Blue 1 acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Blue 1 acid has 8 hydrogen bond donor(s) and 22 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 1 acid?
The CAS number of Direct Blue 1 acid is 3841-14-3.
What is the molecular formula of Direct Blue 1 acid?
The molecular formula of Direct Blue 1 acid is C34H28N6O16S4.
What is the molecular weight of Direct Blue 1 acid?
The molecular weight of Direct Blue 1 acid is 904.04 g/mol.
Where can I buy Direct Blue 1 acid?
You can request a quote for Direct Blue 1 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 1 acid?
Yes, KEHONG BIO provides custom synthesis services for Direct Blue 1 acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.