Direct Blue 98 free acid
TL;DR: Direct Blue 98 free acid (CAS 753385-40-9) is a chemical compound with molecular formula C38H27N5O13S3 and molecular weight 857.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,6-disulfonic acid
Also Known As: Direct Blue 98 free acid, 1,6-Naphthalenedisulfonic acid, 7-(2-(3,3'-dihydroxy-4'-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-8-hydroxy-
| Molecular Formula | C38H27N5O13S3 |
|---|---|
| Molecular Weight | 857.08 g/mol |
| LogP | 8.7969 |
| Topological Polar Surface Area | 305.5 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 857.0767 |
| Heavy Atoms | 59 |
| Complexity | 3271.3254 |
Chemical Identifiers
| CAS Number | 753385-40-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)N=NC6=C(C=C7C=CC=C(C7=C6O)S(=O)(=O)O)S(=O)(=O)O)O)O)S(=O)(=O)O |
Product Overview
Direct Blue 98 free acid (CAS 753385-40-9), with molecular formula C38H27N5O13S3 and molecular weight 857.08 g/mol. IUPAC: 7-[[4-[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxyphenyl]-2-hydroxyphenyl]diazenyl]-8-hydroxynaphthalene-1,6-disulfonic acid.
Chemical Property Profile of Direct Blue 98 free acid
Property Insights of Direct Blue 98 free acid
The XLogP value of 8.7969 indicates that Direct Blue 98 free acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 305.5 Ų indicates high polarity, suggesting Direct Blue 98 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Direct Blue 98 free acid has 8 hydrogen bond donor(s) and 15 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 98 free acid?
The CAS number of Direct Blue 98 free acid is 753385-40-9.
What is the molecular formula of Direct Blue 98 free acid?
The molecular formula of Direct Blue 98 free acid is C38H27N5O13S3.
What is the molecular weight of Direct Blue 98 free acid?
The molecular weight of Direct Blue 98 free acid is 857.08 g/mol.
Where can I buy Direct Blue 98 free acid?
You can request a quote for Direct Blue 98 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 98 free acid?
Yes, KEHONG BIO provides custom synthesis services for Direct Blue 98 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.