C.I. Reactive Blue 160
TL;DR: C.I. Reactive Blue 160 (CAS 71872-76-9) is a chemical compound with molecular formula C38H23Cl2N14Na5O18S5 and molecular weight 1307.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentasodium;2-[[[[3-[[4-chloro-6-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,5-disulfonatoanilino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfonatophenyl]diazenyl]-phenylmethyl]diazenyl]-5-sulfonatobenzoate
Also Known As: C.I. Reactive Blue 160, pentasodium;2-[[[[3-[[4-chloro-6-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,5-disulfonatoanilino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfonatophenyl]diazenyl]-phenylmethyl]diazenyl]-5-sulfonatobenzoate, Benzoic acid, 2-((((3-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-hydroxy-5-sulfophenyl)azo)phenylmethyl)azo)-5-sulfo-, pentasodium salt, Benzoic acid, 2-((((3-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-hydroxy-5-sulfophenyl)azo)phenylmethyl)azo)-5-sulfo-,pentasodium salt, pentasodium,2-[[[2-[(5E)-5-[[4-chloro-6-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,5-disulfonatoanilino]-1,3,5-triazin-2-yl]imino]-6-oxo-3-sulfonatocyclohexa-1,3-dien-1-yl]hydrazinyl]-phenylmethyl]diazenyl]-5-sulfonatobenzoate
| Molecular Formula | C38H23Cl2N14Na5O18S5 |
|---|---|
| Molecular Weight | 1307.88 g/mol |
| LogP | -11.1436 |
| Topological Polar Surface Area | 560.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 14 |
| Exact Mass | 1307.8784 |
| Heavy Atoms | 82 |
| Complexity | 2600.0 |
Chemical Identifiers
| CAS Number | 71872-76-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])C(=O)[O-])N=NC3=CC(=CC(=C3O)NC4=NC(=NC(=N4)Cl)NC5=C(C=C(C(=C5)S(=O)(=O)[O-])NC6=NC(=NC(=N6)NC7=CC(=CC=C7)S(=O)(=O)O)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | KPVYJUCUCAQORR-UHFFFAOYSA-I |
Product Overview
C.I. Reactive Blue 160 (CAS 71872-76-9), with molecular formula C38H23Cl2N14Na5O18S5 and molecular weight 1307.88 g/mol. IUPAC: pentasodium;2-[[[[3-[[4-chloro-6-[4-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,5-disulfonatoanilino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfonatophenyl]diazenyl]-phenylmethyl]diazenyl]-5-sulfonatobenzoate.
Chemical Property Profile of C.I. Reactive Blue 160
Property Insights of C.I. Reactive Blue 160
The XLogP value of -11.1436 indicates that C.I. Reactive Blue 160 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 560.0 Ų indicates high polarity, suggesting C.I. Reactive Blue 160 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C.I. Reactive Blue 160 has 6 hydrogen bond donor(s) and 32 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 160?
The CAS number of C.I. Reactive Blue 160 is 71872-76-9.
What is the molecular formula of C.I. Reactive Blue 160?
The molecular formula of C.I. Reactive Blue 160 is C38H23Cl2N14Na5O18S5.
What is the molecular weight of C.I. Reactive Blue 160?
The molecular weight of C.I. Reactive Blue 160 is 1307.88 g/mol.
Where can I buy C.I. Reactive Blue 160?
You can request a quote for C.I. Reactive Blue 160 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 160?
Yes, KEHONG BIO provides custom synthesis services for C.I. Reactive Blue 160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.