Compound
TL;DR: Compound (CAS 91846-38-7) is a chemical compound with molecular formula C27H37CrN6O9S and molecular weight 673.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);3-(2-ethylhexoxy)propan-1-amine;hydron;3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate;hydroxide
Also Known As: Compound, Chromate(1-), (3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))hydroxy-, (T-4)-, hydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1:1), chromium(3+) hydrogen hydroxide 3-[(e)-(3-methyl-5-oxido-1-phenyl-1h-pyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate- 3-[(2-ethylhexyl)oxy]propan-1-amine(1:1:1:1:1), Hydrogen (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulphonato(3-))hydroxychromate(1-), compound with 3-((2-ethylhexyl)oxy)propylamine (1:1), 287-257-4
| Molecular Formula | C27H37CrN6O9S |
|---|---|
| Molecular Weight | 673.17 g/mol |
| LogP | 4.05702 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 673.1748 |
| Heavy Atoms | 44 |
| Complexity | 801.0 |
Chemical Identifiers
| CAS Number | 91846-38-7 |
|---|---|
| SMILES | [H+].CCCCC(CC)COCCCN.CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.[OH-].[Cr+3] |
| InChIKey | KPGQEEWPMQJNDS-UHFFFAOYSA-K |
Product Overview
Compound (CAS 91846-38-7), with molecular formula C27H37CrN6O9S and molecular weight 673.17 g/mol. IUPAC: chromium(3+);3-(2-ethylhexoxy)propan-1-amine;hydron;3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate;hydroxide.
Chemical Property Profile of Compound
Property Insights of Compound
The XLogP value of 4.05702 indicates that Compound is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 236.0 Ų indicates high polarity, suggesting Compound may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Compound 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 Compound?
The CAS number of Compound is 91846-38-7.
What is the molecular formula of Compound?
The molecular formula of Compound is C27H37CrN6O9S.
What is the molecular weight of Compound?
The molecular weight of Compound is 673.17 g/mol.
Where can I buy Compound?
You can request a quote for Compound directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound?
Yes, KEHONG BIO provides custom synthesis services for Compound and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.