RefChem:887313
TL;DR: RefChem:887313 (CAS 96448-59-8) is a chemical compound with molecular formula C34H24CrN8NaO6 and molecular weight 715.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;chromium(3+);bis(2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate)
Also Known As: Chromate(1-), bis(2-(((5-hydroxy-3-methyl-1-phenyl)pyrazol-4-yl)azo)benzoato(2-))-, sodium salt, Chromate(1-), bis(2-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)benzoato(2-)-kappaO)-, sodium, (4-((2-Carboxyphenylazo)-1-phenyl-3-methyl-5-pyrazolone)chromium(1-), sodium, Chromate(1-), bis(2-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoate(2-)), sodium, Chromate(1-), bis(o-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo)benzoato(2-))-, sodium
| Molecular Formula | C34H24CrN8NaO6 |
|---|---|
| Molecular Weight | 715.11 g/mol |
| LogP | 1.06794 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 715.1122 |
| Heavy Atoms | 50 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 96448-59-8 |
|---|---|
| SMILES | CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.[Na+].[Cr+3] |
| InChIKey | NREYJNTXBARHGH-UHFFFAOYSA-J |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:887313 (CAS 96448-59-8), with molecular formula C34H24CrN8NaO6 and molecular weight 715.11 g/mol. IUPAC: sodium;chromium(3+);bis(2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate).
Chemical Property Profile of RefChem:887313
Property Insights of RefChem:887313
The XLogP value of 1.06794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:887313. The TPSA of 211.0 Ų indicates high polarity, suggesting RefChem:887313 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:887313 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:887313?
The CAS number of RefChem:887313 is 96448-59-8.
What is the molecular formula of RefChem:887313?
The molecular formula of RefChem:887313 is C34H24CrN8NaO6.
What is the molecular weight of RefChem:887313?
The molecular weight of RefChem:887313 is 715.11 g/mol.
Where can I buy RefChem:887313?
You can request a quote for RefChem:887313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:887313?
Yes, KEHONG BIO provides custom synthesis services for RefChem:887313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.