EINECS 261-438-8
TL;DR: EINECS 261-438-8 (CAS 58779-19-4) is a chemical compound with molecular formula C20H22N4O12S3 and molecular weight 606.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethoxy-5-[[3-methyl-5-oxo-1-[3-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
Also Known As: 2,4-dimethoxy-5-[[3-methyl-5-oxo-1-[3-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid, 5-((4,5-Dihydro-3-methyl-5-oxo-1-(4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)-1H-pyrazol-4-yl)azo)-2,4-dimethoxybenzenesulphonic acid, Benzenesulfonic acid, 5-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)azo)-2,4-dimethoxy-, Benzenesulfonic acid, 5-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)diazenyl)-2,4-dimethoxy-, EINECS 261-438-8
| Molecular Formula | C20H22N4O12S3 |
|---|---|
| Molecular Weight | 606.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 253.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 606.0396 |
| Heavy Atoms | 39 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 58779-19-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)OC)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)CCOS(=O)(=O)O |
| InChIKey | RYSDOXFAMVNVML-UHFFFAOYSA-N |
Product Overview
EINECS 261-438-8 (CAS 58779-19-4), with molecular formula C20H22N4O12S3 and molecular weight 606.04 g/mol. IUPAC: 2,4-dimethoxy-5-[[3-methyl-5-oxo-1-[3-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]benzenesulfonic acid.
Chemical Property Profile of EINECS 261-438-8
Property Insights of EINECS 261-438-8
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 261-438-8. The TPSA of 253.0 Ų indicates high polarity, suggesting EINECS 261-438-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 261-438-8 has 2 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 EINECS 261-438-8?
The CAS number of EINECS 261-438-8 is 58779-19-4.
What is the molecular formula of EINECS 261-438-8?
The molecular formula of EINECS 261-438-8 is C20H22N4O12S3.
What is the molecular weight of EINECS 261-438-8?
The molecular weight of EINECS 261-438-8 is 606.04 g/mol.
Where can I buy EINECS 261-438-8?
You can request a quote for EINECS 261-438-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-438-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-438-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.