RefChem:285415
TL;DR: RefChem:285415 (CAS 21016-00-2) is a chemical compound with molecular formula C20H20N4O13S3 and molecular weight 620.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
Also Known As: 4,5-Dihydro-4-((2-methoxy-5-methyl-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, 4,5-Dihydro-4-[2-[2-methoxy-5-methyl-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid, 4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid, 4,5-Dihydro-4-(2-(2-methoxy-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2- ethyl]sulphonyl]phenyl]azo]-5-oxo-1- -1H-pyrazole-3-carboxylicacid
| Molecular Formula | C20H20N4O13S3 |
|---|---|
| Molecular Weight | 620.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 281.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 11 |
| Exact Mass | 620.0189 |
| Heavy Atoms | 40 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 21016-00-2 |
|---|---|
| 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(=O)O |
| InChIKey | XWBRDSPQNJLYFS-UHFFFAOYSA-N |
Product Overview
RefChem:285415 (CAS 21016-00-2), with molecular formula C20H20N4O13S3 and molecular weight 620.02 g/mol. IUPAC: 4-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of RefChem:285415
Property Insights of RefChem:285415
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:285415. The TPSA of 281.0 Ų indicates high polarity, suggesting RefChem:285415 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:285415 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:285415?
The CAS number of RefChem:285415 is 21016-00-2.
What is the molecular formula of RefChem:285415?
The molecular formula of RefChem:285415 is C20H20N4O13S3.
What is the molecular weight of RefChem:285415?
The molecular weight of RefChem:285415 is 620.02 g/mol.
Where can I buy RefChem:285415?
You can request a quote for RefChem:285415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:285415?
Yes, KEHONG BIO provides custom synthesis services for RefChem:285415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.