Reactive Blue 4
TL;DR: Reactive Blue 4 (CAS 13324-20-4) is a chemical compound with molecular formula C23H14Cl2N6O8S2 and molecular weight 635.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: Reactive Blue 4, Procion blue MX-R, blue, C.I. Reactive Blue 4, Procion
| Molecular Formula | C23H14Cl2N6O8S2 |
|---|---|
| Molecular Weight | 635.97 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 635.9692 |
| Heavy Atoms | 41 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 13324-20-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)O)NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)O)N |
| InChIKey | RTLULCVBFCRQKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Reactive Blue 4 (CAS 13324-20-4), with molecular formula C23H14Cl2N6O8S2 and molecular weight 635.97 g/mol. IUPAC: 1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of Reactive Blue 4
Property Insights of Reactive Blue 4
The XLogP value of 4.7 indicates that Reactive Blue 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 248.0 Ų indicates high polarity, suggesting Reactive Blue 4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Reactive Blue 4 has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Reactive Blue 4?
The CAS number of Reactive Blue 4 is 13324-20-4.
What is the molecular formula of Reactive Blue 4?
The molecular formula of Reactive Blue 4 is C23H14Cl2N6O8S2.
What is the molecular weight of Reactive Blue 4?
The molecular weight of Reactive Blue 4 is 635.97 g/mol.
Where can I buy Reactive Blue 4?
You can request a quote for Reactive Blue 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Reactive Blue 4?
Yes, KEHONG BIO provides custom synthesis services for Reactive Blue 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.