C.I. Reactive Blue 49
TL;DR: C.I. Reactive Blue 49 (CAS 94668-14-1) is a chemical compound with molecular formula C32H23ClN7Na3O11S3 and molecular weight 881.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;1-amino-4-[3-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
Also Known As: C.I. Reactive Blue 49, Reactive Blue 49, 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3), 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt, 2-Anthracenesulfonic acid, 1-amino-4-((5-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-3-sulfophenyl)amino)-, trisodium salt
| Molecular Formula | C32H23ClN7Na3O11S3 |
|---|---|
| Molecular Weight | 881.00 g/mol |
| LogP | -5.23704 |
| Topological Polar Surface Area | 332.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 880.99994 |
| Heavy Atoms | 57 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 94668-14-1 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)NC3=CC(=CC=C3)S(=O)(=O)[O-])Cl)C)S(=O)(=O)[O-])C)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | ZUCXUTRTSQLRCV-UHFFFAOYSA-K |
Product Overview
C.I. Reactive Blue 49 (CAS 94668-14-1), with molecular formula C32H23ClN7Na3O11S3 and molecular weight 881.00 g/mol. IUPAC: trisodium;1-amino-4-[3-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate.
Chemical Property Profile of C.I. Reactive Blue 49
Property Insights of C.I. Reactive Blue 49
The XLogP value of -5.23704 indicates that C.I. Reactive Blue 49 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 332.0 Ų indicates high polarity, suggesting C.I. Reactive Blue 49 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Reactive Blue 49 has 4 hydrogen bond donor(s) and 18 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. Reactive Blue 49?
The CAS number of C.I. Reactive Blue 49 is 94668-14-1.
What is the molecular formula of C.I. Reactive Blue 49?
The molecular formula of C.I. Reactive Blue 49 is C32H23ClN7Na3O11S3.
What is the molecular weight of C.I. Reactive Blue 49?
The molecular weight of C.I. Reactive Blue 49 is 881.00 g/mol.
Where can I buy C.I. Reactive Blue 49?
You can request a quote for C.I. Reactive Blue 49 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C.I. Reactive Blue 49?
Yes, KEHONG BIO provides custom synthesis services for C.I. Reactive Blue 49 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.