C.I. Direct Brown 101, trisodium salt
TL;DR: C.I. Direct Brown 101, trisodium salt (CAS 3626-29-7) is a chemical compound with molecular formula C36H21N6Na3O9S and molecular weight 782.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[[4-[4-[[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
Also Known As: Direct Brown 101, C.I. Direct Brown 101, trisodium salt, Tetramine Fast Brown RT Extra, trisodium;5-[[4-[4-[[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate
| Molecular Formula | C36H21N6Na3O9S |
|---|---|
| Molecular Weight | 782.08 g/mol |
| LogP | -2.19 |
| Topological Polar Surface Area | 260.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 782.07837 |
| Heavy Atoms | 55 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 3626-29-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC(=C(C=C5)O)C(=O)[O-])S(=O)(=O)[O-])N=NC6=CC(=C(C=C6)O)C(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | MUWXFTFIPYDMGT-UHFFFAOYSA-K |
Product Overview
C.I. Direct Brown 101, trisodium salt (CAS 3626-29-7), with molecular formula C36H21N6Na3O9S and molecular weight 782.08 g/mol. IUPAC: trisodium;5-[[4-[4-[[4-[(3-carboxylato-4-hydroxyphenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]phenyl]phenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of C.I. Direct Brown 101, trisodium salt
Property Insights of C.I. Direct Brown 101, trisodium salt
The XLogP value of -2.19 indicates that C.I. Direct Brown 101, trisodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 260.0 Ų indicates high polarity, suggesting C.I. Direct Brown 101, trisodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Direct Brown 101, trisodium salt has 2 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 C.I. Direct Brown 101, trisodium salt?
The CAS number of C.I. Direct Brown 101, trisodium salt is 3626-29-7.
What is the molecular formula of C.I. Direct Brown 101, trisodium salt?
The molecular formula of C.I. Direct Brown 101, trisodium salt is C36H21N6Na3O9S.
What is the molecular weight of C.I. Direct Brown 101, trisodium salt?
The molecular weight of C.I. Direct Brown 101, trisodium salt is 782.08 g/mol.
Where can I buy C.I. Direct Brown 101, trisodium salt?
You can request a quote for C.I. Direct Brown 101, trisodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Direct Brown 101, trisodium salt?
Yes, KEHONG BIO provides custom synthesis services for C.I. Direct Brown 101, trisodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.