Reactive Red 45
TL;DR: Reactive Red 45 (CAS 12226-22-1) is a chemical compound with molecular formula C27H19ClN7Na3O10S3 and molecular weight 800.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: Reactive Red 45, C.I. Reactive Red 45, Reactive Brilliant Red 6S, trisodium;5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate, 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(4-methyl-2-sulfophenyl)diazenyl)-, sodium salt (1:3)
| Molecular Formula | C27H19ClN7Na3O10S3 |
|---|---|
| Molecular Weight | 800.97 g/mol |
| LogP | -4.65658 |
| Topological Polar Surface Area | 296.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 800.9737 |
| Heavy Atoms | 51 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 12226-22-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)Cl)N(C)C5=CC=CC=C5)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | DYKLIOJHWZQJBH-UHFFFAOYSA-K |
Product Overview
Reactive Red 45 (CAS 12226-22-1), with molecular formula C27H19ClN7Na3O10S3 and molecular weight 800.97 g/mol. IUPAC: trisodium;5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of Reactive Red 45
Property Insights of Reactive Red 45
The XLogP value of -4.65658 indicates that Reactive Red 45 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 296.0 Ų indicates high polarity, suggesting Reactive Red 45 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Reactive Red 45 has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Reactive Red 45?
The CAS number of Reactive Red 45 is 12226-22-1.
What is the molecular formula of Reactive Red 45?
The molecular formula of Reactive Red 45 is C27H19ClN7Na3O10S3.
What is the molecular weight of Reactive Red 45?
The molecular weight of Reactive Red 45 is 800.97 g/mol.
Where can I buy Reactive Red 45?
You can request a quote for Reactive Red 45 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Reactive Red 45?
Yes, KEHONG BIO provides custom synthesis services for Reactive Red 45 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.