RefChem:789076
TL;DR: RefChem:789076 (CAS 71598-35-1) is a chemical compound with molecular formula C34H27Cl2CrN8O8S2 and molecular weight 861.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-(3-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate);chromium(3+);hydron
Also Known As: Chromate(1-), bis(2-(3-chlorophenyl)-2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)diazenyl-kappaN1)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:1), Chromate(1-), bis(2-(3-chlorophenyl)-2,4-dihydro-4-((2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)azo-kappaN1)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen, Chromate(1-), bis[2-(3-chlorophenyl)-2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-5-(methylsulfonyl)phenyl]azo-.kappa.N1]-5-methyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen, Hydrogen bis(2-(3-chlorophenyl)-2,4-dihydro-4-((2-hydroxy-5-mesylphenyl)azo)-5-methyl-3H-pyrazol-3-onato(2-))chromate(1-), Hydrogen bis[2-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-mesylphenyl]azo]-5-methyl-3H-pyrazol-3-onato(2-)]chromate(1-)
| Molecular Formula | C34H27Cl2CrN8O8S2 |
|---|---|
| Molecular Weight | 861.02 g/mol |
| LogP | 5.71044 |
| Topological Polar Surface Area | 262.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 861.0175 |
| Heavy Atoms | 55 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 71598-35-1 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.[Cr+3] |
| InChIKey | JIUMEAQOHLBITO-UHFFFAOYSA-K |
Product Overview
RefChem:789076 (CAS 71598-35-1), with molecular formula C34H27Cl2CrN8O8S2 and molecular weight 861.02 g/mol. IUPAC: bis(1-(3-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate);chromium(3+);hydron.
Chemical Property Profile of RefChem:789076
Property Insights of RefChem:789076
The XLogP value of 5.71044 indicates that RefChem:789076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 262.0 Ų indicates high polarity, suggesting RefChem:789076 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:789076 has 1 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:789076?
The CAS number of RefChem:789076 is 71598-35-1.
What is the molecular formula of RefChem:789076?
The molecular formula of RefChem:789076 is C34H27Cl2CrN8O8S2.
What is the molecular weight of RefChem:789076?
The molecular weight of RefChem:789076 is 861.02 g/mol.
Where can I buy RefChem:789076?
You can request a quote for RefChem:789076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:789076?
Yes, KEHONG BIO provides custom synthesis services for RefChem:789076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.