RefChem:439033
TL;DR: RefChem:439033 (CAS 29092-63-5) is a chemical compound with molecular formula C20H20N4O14S3 and molecular weight 636.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
Also Known As: 1H-Pyrazole-3-carboxylic acid, 4-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 1H-Pyrazole-3-carboxylic acid, 4-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 4-[(e)-(2,5-dimethoxy-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1h-pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 4-[[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 1H-Pyrazole-3-carboxylic acid, 4-[2-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
| Molecular Formula | C20H20N4O14S3 |
|---|---|
| Molecular Weight | 636.01 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Exact Mass | 636.0138 |
| Heavy Atoms | 41 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 29092-63-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)OC)S(=O)(=O)CCOS(=O)(=O)O |
| InChIKey | ZALKFJRRNQAOGJ-UHFFFAOYSA-N |
Product Overview
RefChem:439033 (CAS 29092-63-5), with molecular formula C20H20N4O14S3 and molecular weight 636.01 g/mol. IUPAC: 4-[[2,5-dimethoxy-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of RefChem:439033
Property Insights of RefChem:439033
The XLogP value of -0.2 indicates that RefChem:439033 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 290.0 Ų indicates high polarity, suggesting RefChem:439033 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:439033 has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:439033?
The CAS number of RefChem:439033 is 29092-63-5.
What is the molecular formula of RefChem:439033?
The molecular formula of RefChem:439033 is C20H20N4O14S3.
What is the molecular weight of RefChem:439033?
The molecular weight of RefChem:439033 is 636.01 g/mol.
Where can I buy RefChem:439033?
You can request a quote for RefChem:439033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:439033?
Yes, KEHONG BIO provides custom synthesis services for RefChem:439033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.