RefChem:576962
TL;DR: RefChem:576962 (CAS 61931-84-8) is a chemical compound with molecular formula C13H7CrN2O7S and molecular weight 386.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);5-nitro-2-oxido-3-[(2-oxidophenyl)methylideneamino]benzenesulfonate
Also Known As: Chromium, [2-(hydroxy-.kappa.O)-3-[[[2-(hydroxy-.kappa.O)phenyl]methylene]amino-.kappa.N]-5-nitrobenzenesulfonato(3-)]-, Chromium, (2-(hydroxy-kappaO)-3-(((2-(hydroxy-kappaO)phenyl)methylene)amino-kappaN)-5-nitrobenzenesulfonato(3-))-, Chromium, (2-hydroxy-3-(((2-hydroxyphenyl)methylene)amino)-5-nitrobenzenesulfonato(3-)-N3,O2,O3)-, (2-Hydroxy-3-(((2-hydroxyphenyl)methylene)amino)-5-nitrobenzene-1-sulphonato(3-)-N3,O2,O3)chromium, [2-hydroxy-3-[[(2-hydroxyphenyl)methylene]amino]-5-nitrobenzene-1-sulphonato(3-)-N3,O2,O3]chromium
| Molecular Formula | C13H7CrN2O7S |
|---|---|
| Molecular Weight | 386.94 g/mol |
| LogP | 0.39 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.9379 |
| Heavy Atoms | 24 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 61931-84-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-].[Cr+3] |
| InChIKey | OINVGOFNMHSPCS-UHFFFAOYSA-K |
Product Overview
RefChem:576962 (CAS 61931-84-8), with molecular formula C13H7CrN2O7S and molecular weight 386.94 g/mol. IUPAC: chromium(3+);5-nitro-2-oxido-3-[(2-oxidophenyl)methylideneamino]benzenesulfonate.
Chemical Property Profile of RefChem:576962
Property Insights of RefChem:576962
The XLogP value of 0.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:576962. The TPSA of 170.0 Ų indicates high polarity, suggesting RefChem:576962 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576962 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576962?
The CAS number of RefChem:576962 is 61931-84-8.
What is the molecular formula of RefChem:576962?
The molecular formula of RefChem:576962 is C13H7CrN2O7S.
What is the molecular weight of RefChem:576962?
The molecular weight of RefChem:576962 is 386.94 g/mol.
Where can I buy RefChem:576962?
You can request a quote for RefChem:576962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576962?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.