Reactive brown 2
TL;DR: Reactive brown 2 (CAS 90604-46-9) is a chemical compound with molecular formula C31H20ClN9Na4O12S4 and molecular weight 964.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalene-1,3,6-trisulfonate
Also Known As: Reactive brown 2, C.I. Reactive Brown 2, tetrasodium;5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalene-1,3,6-trisulfonate, 1,3,6-Naphthalenetrisulfonic acid, 5-((4-((4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulfo-1-naphthalenyl)azo)-2,5-dimethylphenyl)azo)-, tetrasodium salt, 1,3,6-Naphthalenetrisulfonic acid, 5-(2-(4-(2-(4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulfo-1-naphthalenyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:4)
| Molecular Formula | C31H20ClN9Na4O12S4 |
|---|---|
| Molecular Weight | 964.94 g/mol |
| LogP | -6.76276 |
| Topological Polar Surface Area | 388.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 6 |
| Exact Mass | 964.93933 |
| Heavy Atoms | 61 |
| Complexity | 1890.0 |
Chemical Identifiers
| CAS Number | 90604-46-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=C(C=CC3=C2C=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC4=C5C=C(C=CC5=C(C=C4)NC6=NC(=NC(=N6)N)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | JAHOBQDOBYFPTP-UHFFFAOYSA-J |
Product Overview
Reactive brown 2 (CAS 90604-46-9), with molecular formula C31H20ClN9Na4O12S4 and molecular weight 964.94 g/mol. IUPAC: tetrasodium;5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]naphthalene-1,3,6-trisulfonate.
Chemical Property Profile of Reactive brown 2
Property Insights of Reactive brown 2
The XLogP value of -6.76276 indicates that Reactive brown 2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 388.0 Ų indicates high polarity, suggesting Reactive brown 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Reactive brown 2 has 2 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Reactive brown 2?
The CAS number of Reactive brown 2 is 90604-46-9.
What is the molecular formula of Reactive brown 2?
The molecular formula of Reactive brown 2 is C31H20ClN9Na4O12S4.
What is the molecular weight of Reactive brown 2?
The molecular weight of Reactive brown 2 is 964.94 g/mol.
Where can I buy Reactive brown 2?
You can request a quote for Reactive brown 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Reactive brown 2?
Yes, KEHONG BIO provides custom synthesis services for Reactive brown 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.