RefChem:564496
TL;DR: RefChem:564496 (CAS 56892-20-7) is a chemical compound with molecular formula C19H20N4O11S3 and molecular weight 576.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: 4-{4-[(e)-(2-methoxy-5-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl}benzenesulfonic acid, Benzenesulfonic acid, 4-(4,5-dihydro-4-((2-methoxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, 4-(4,5-dihydro-4-(2-(2-methoxy-5-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, 4-[4,5-dihydro-4-[[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
| Molecular Formula | C19H20N4O11S3 |
|---|---|
| Molecular Weight | 576.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 576.02905 |
| Heavy Atoms | 37 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 56892-20-7 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)S(=O)(=O)CCOS(=O)(=O)O)OC)C3=CC=C(C=C3)S(=O)(=O)O |
| InChIKey | STMNKFHLAVUWNY-UHFFFAOYSA-N |
Product Overview
RefChem:564496 (CAS 56892-20-7), with molecular formula C19H20N4O11S3 and molecular weight 576.03 g/mol. IUPAC: 4-[4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of RefChem:564496
Property Insights of RefChem:564496
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:564496. The TPSA of 244.0 Ų indicates high polarity, suggesting RefChem:564496 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564496 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:564496?
The CAS number of RefChem:564496 is 56892-20-7.
What is the molecular formula of RefChem:564496?
The molecular formula of RefChem:564496 is C19H20N4O11S3.
What is the molecular weight of RefChem:564496?
The molecular weight of RefChem:564496 is 576.03 g/mol.
Where can I buy RefChem:564496?
You can request a quote for RefChem:564496 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564496?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.