Reactive Yellow 13
TL;DR: Reactive Yellow 13 (CAS 14963-96-3) is a chemical compound with molecular formula C19H14ClN4Na3O12S3 and molecular weight 689.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-chloro-5-[[3-methyl-5-oxo-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]-4-sulfonatobenzoate
Also Known As: Reactive Yellow 13, trisodium 2-chloro-5-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]-4-sulphonatobenzoate, trisodium;2-chloro-5-[[3-methyl-5-oxo-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]-4-sulfonatobenzoate, trisodium 2-chloro-5-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]-1H, trisodium 2-chloro-5-{(e)-[3-methyl-5-oxo-1-(4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}-4-sulfonatobenzoate
| Molecular Formula | C19H14ClN4Na3O12S3 |
|---|---|
| Molecular Weight | 689.92 g/mol |
| LogP | -9.2549 |
| Topological Polar Surface Area | 280.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 689.9152 |
| Heavy Atoms | 42 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 14963-96-3 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=C(C(=C2)C(=O)[O-])Cl)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | JVWFJQBGRJXMOM-UHFFFAOYSA-K |
Product Overview
Reactive Yellow 13 (CAS 14963-96-3), with molecular formula C19H14ClN4Na3O12S3 and molecular weight 689.92 g/mol. IUPAC: trisodium;2-chloro-5-[[3-methyl-5-oxo-1-[4-(2-sulfonatooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]-4-sulfonatobenzoate.
Chemical Property Profile of Reactive Yellow 13
Property Insights of Reactive Yellow 13
The XLogP value of -9.2549 indicates that Reactive Yellow 13 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 280.0 Ų indicates high polarity, suggesting Reactive Yellow 13 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Reactive Yellow 13 has 0 hydrogen bond donor(s) and 15 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 13?
The CAS number of Reactive Yellow 13 is 14963-96-3.
What is the molecular formula of Reactive Yellow 13?
The molecular formula of Reactive Yellow 13 is C19H14ClN4Na3O12S3.
What is the molecular weight of Reactive Yellow 13?
The molecular weight of Reactive Yellow 13 is 689.92 g/mol.
Where can I buy Reactive Yellow 13?
You can request a quote for Reactive Yellow 13 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Reactive Yellow 13?
Yes, KEHONG BIO provides custom synthesis services for Reactive Yellow 13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.