Reactive Yellow 3
TL;DR: Reactive Yellow 3 (CAS 6539-67-9) is a chemical compound with molecular formula C21H17ClN8O7S2 and molecular weight 592.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid
Also Known As: Reactive Yellow 3, ReactiveYellow3, Reactive Yellow-3, Procion Yellow H-A, C.I. Reactive Yellow 3
| Molecular Formula | C21H17ClN8O7S2 |
|---|---|
| Molecular Weight | 592.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 592.03503 |
| Heavy Atoms | 39 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 6539-67-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)N)Cl)N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O |
| InChIKey | ASDREVVGQFYRTH-UHFFFAOYSA-N |
Product Overview
Reactive Yellow 3 (CAS 6539-67-9), with molecular formula C21H17ClN8O7S2 and molecular weight 592.04 g/mol. IUPAC: 3-[[2-acetamido-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid.
Chemical Property Profile of Reactive Yellow 3
Property Insights of Reactive Yellow 3
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Reactive Yellow 3. The TPSA of 256.0 Ų indicates high polarity, suggesting Reactive Yellow 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Reactive Yellow 3 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 Yellow 3?
The CAS number of Reactive Yellow 3 is 6539-67-9.
What is the molecular formula of Reactive Yellow 3?
The molecular formula of Reactive Yellow 3 is C21H17ClN8O7S2.
What is the molecular weight of Reactive Yellow 3?
The molecular weight of Reactive Yellow 3 is 592.04 g/mol.
Where can I buy Reactive Yellow 3?
You can request a quote for Reactive Yellow 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Reactive Yellow 3?
Yes, KEHONG BIO provides custom synthesis services for Reactive Yellow 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.