Reactive Yellow 15 free acid
TL;DR: Reactive Yellow 15 free acid (CAS 60958-41-0) is a chemical compound with molecular formula C20H22N4O11S3 and molecular weight 590.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: Reactive Yellow 15 free acid, p-(4,5-Dihydro-4-((2-methoxy-5-methyl-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 4-[4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid, p-4,5-Dihydro-4-2-methoxy-5-methyl-4-2-(sulphooxy)ethylsulphonylphenylazo-3-methyl-5-oxo-1H-Pyrazol-1-ylbenzenesulphonic a cid, 4-[4,5-Dihydro-4-[2-[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
| Molecular Formula | C20H22N4O11S3 |
|---|---|
| Molecular Weight | 590.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 590.04474 |
| Heavy Atoms | 38 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 60958-41-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)O)OC)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C |
| InChIKey | ZLLJOZOHXNAJLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Reactive Yellow 15 free acid (CAS 60958-41-0), with molecular formula C20H22N4O11S3 and molecular weight 590.04 g/mol. IUPAC: 4-[4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of Reactive Yellow 15 free acid
Property Insights of Reactive Yellow 15 free acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Reactive Yellow 15 free acid. The TPSA of 244.0 Ų indicates high polarity, suggesting Reactive Yellow 15 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Reactive Yellow 15 free acid has 2 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 15 free acid?
The CAS number of Reactive Yellow 15 free acid is 60958-41-0.
What is the molecular formula of Reactive Yellow 15 free acid?
The molecular formula of Reactive Yellow 15 free acid is C20H22N4O11S3.
What is the molecular weight of Reactive Yellow 15 free acid?
The molecular weight of Reactive Yellow 15 free acid is 590.04 g/mol.
Where can I buy Reactive Yellow 15 free acid?
You can request a quote for Reactive Yellow 15 free acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Reactive Yellow 15 free acid?
Yes, KEHONG BIO provides custom synthesis services for Reactive Yellow 15 free acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.