RefChem:857929
TL;DR: RefChem:857929 (CAS 24704-54-9) is a chemical compound with molecular formula C23H20N4O8S2 and molecular weight 544.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-methyl-4-[3-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
Also Known As: p-(4,5-Dihydro-4-(3-(5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, Benzenesulfonic acid, 4-(4,5-dihydro-4-(3-(5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2-propen-1-ylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, Benzenesulfonic acid, 4-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propenylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, 4-[5-methyl-4-[3-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid, Benzenesulfonic acid, 4-(4,5-dihydro-4-(3-(5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2-propenylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-
| Molecular Formula | C23H20N4O8S2 |
|---|---|
| Molecular Weight | 544.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.07227 |
| Heavy Atoms | 37 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 24704-54-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C |
| InChIKey | AFWKVJIONUPCNY-UHFFFAOYSA-N |
Product Overview
RefChem:857929 (CAS 24704-54-9), with molecular formula C23H20N4O8S2 and molecular weight 544.07 g/mol. IUPAC: 4-[5-methyl-4-[3-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]prop-1-enyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid.
Chemical Property Profile of RefChem:857929
Property Insights of RefChem:857929
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:857929. The TPSA of 191.0 Ų indicates high polarity, suggesting RefChem:857929 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:857929 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:857929?
The CAS number of RefChem:857929 is 24704-54-9.
What is the molecular formula of RefChem:857929?
The molecular formula of RefChem:857929 is C23H20N4O8S2.
What is the molecular weight of RefChem:857929?
The molecular weight of RefChem:857929 is 544.07 g/mol.
Where can I buy RefChem:857929?
You can request a quote for RefChem:857929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:857929?
Yes, KEHONG BIO provides custom synthesis services for RefChem:857929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.