RefChem:434864
TL;DR: RefChem:434864 (CAS 68258-99-1) is a chemical compound with molecular formula C31H24N9NaO9S and molecular weight 721.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonate
Also Known As: 1-Naphthalenesulfonic acid, 4-((1-(4-((((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)amino)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-3-hydroxy-7-nitro-, monosodium salt, 1-Naphthalenesulfonic acid, 4-(2-(1-(4-((((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)amino)carbonyl)amino)phenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-3-hydroxy-7-nitro-, sodium salt (1:1), 1-Naphthalenesulfonic acid, 4-[[1-[4-[[[[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]amino]carbonyl]amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-3-hydroxy-7-nitro-, monosodium salt, 1-Naphthalenesulfonic acid, 3-hydroxy-4-((1-(4-(3-(4-(5-hydroxy-3-methylpyrazol-1-yl)phenyl)ureido)phenyl)-5-hydroxy-3-methylpyrazol-4-yl)azo)-7-nitro-,sodium salt, 1-Naphthalenesulfonic acid, 4-[2-[1-[4-[[[[4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl]amino]carbonyl]amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-3-hydroxy-7-nitro-, sodium salt (1:1)
| Molecular Formula | C31H24N9NaO9S |
|---|---|
| Molecular Weight | 721.13 g/mol |
| LogP | 1.9933 |
| Topological Polar Surface Area | 263.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 721.13153 |
| Heavy Atoms | 51 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 68258-99-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N4C(=O)C(C(=N4)C)N=NC5=C6C=CC(=CC6=C(C=C5O)S(=O)(=O)[O-])[N+](=O)[O-].[Na+] |
| InChIKey | QGTVPHDLNMATTC-UHFFFAOYSA-M |
Product Overview
RefChem:434864 (CAS 68258-99-1), with molecular formula C31H24N9NaO9S and molecular weight 721.13 g/mol. IUPAC: sodium 3-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonate.
Chemical Property Profile of RefChem:434864
Property Insights of RefChem:434864
The XLogP value of 1.9933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:434864. The TPSA of 263.0 Ų indicates high polarity, suggesting RefChem:434864 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:434864 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:434864?
The CAS number of RefChem:434864 is 68258-99-1.
What is the molecular formula of RefChem:434864?
The molecular formula of RefChem:434864 is C31H24N9NaO9S.
What is the molecular weight of RefChem:434864?
The molecular weight of RefChem:434864 is 721.13 g/mol.
Where can I buy RefChem:434864?
You can request a quote for RefChem:434864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:434864?
Yes, KEHONG BIO provides custom synthesis services for RefChem:434864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.