DTXSID30866914 structure

DTXSID30866914

4-[4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid

CAS: 25311-20-0
Molecular Formula C20H22N4O12S3
Molecular Weight 606.6 g/mol
LogP 0.2
Topological Polar Surface Area 253.0 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 15
Rotatable Bonds 11
Exact Mass 606.0396
Heavy Atoms 39
Complexity 1260.0

Chemical Identifiers

CAS Number 25311-20-0
SMILES CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC)C3=CC=C(C=C3)S(=O)(=O)O
InChIKey DXCCMFSEQJYYIA-UHFFFAOYSA-N

📖 Product Overview

DTXSID30866914 (CAS: 25311-20-0) is a chemical compound with molecular formula C20H22N4O12S3 and molecular weight 606.6 g/mol. Its IUPAC systematic name is 4-[4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid. LogP 0.2 Topological Polar Surface Area 253.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 15 Rotatable Bonds 11 Exact Mass 606.0396 Heavy Atoms 39 Complexity 1260.0 InChI Key: DXCCMFSEQJYYIA-UHFFFAOYSA-N. SMILES: CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC)C3=CC=C(C=C3)S(=O)(=O)O.

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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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