RefChem:791437
TL;DR: RefChem:791437 (CAS 68833-87-4) is a chemical compound with molecular formula C16H14FeNO10S2 and molecular weight 499.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis[(2-hydroxy-5-sulfonatophenyl)methyl]amino]acetate;iron(3+)
Also Known As: [n,N-Bis[(2-hydroxy-5-sulfophenyl)methyl]glycinato(3-)]iron|Iron, [N,N-bis[[2-(hydroxy-.kappa.O)-5-sulfophenyl]methyl]glycinato(3-)-.kappa.N,.kappa.O]-|Iron, (N,N-bis((2-(hydroxy-kappaO)-5-sulfophenyl)methyl)glycinato(3-)-kappaN,kappaO)-|(N,N-Bis((2-hydroxy-5-sulphophenyl)methyl)glycinato(3-))iron|[N,N-bis[(2-hydroxy-5-sulphophenyl)methyl]glycinato(3-)]iron|2-[bis[(2-hydroxy-5-sulfonatophenyl)methyl]amino]acetate; iron(3+)|Iron(3+) {bis[(2-hydroxy-5-sulfonatophenyl)methyl]amino}acetate|Iron, [N,N-bis[(2-hydroxy-5-sulfophenyl)methyl]glycinato(3-)]-|Iron, [N,N-bis[[2-(hydroxy-kappaO)-5-sulfophenyl]methyl]glycinato(3-)-kappaN,kappaO]-|EINECS 272-414-1|RefChem:791437|DTXCID3046243
| Molecular Formula | C16H14FeNO10S2 |
|---|---|
| Molecular Weight | 499.94 g/mol |
| LogP | -1.34 |
| Topological Polar Surface Area | 215.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.94086 |
| Heavy Atoms | 30 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 68833-87-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)[O-])CN(CC2=C(C=CC(=C2)S(=O)(=O)[O-])O)CC(=O)[O-])O.[Fe+3] |
| InChIKey | DZSWUMJDYPNMJO-UHFFFAOYSA-K |
Product Overview
RefChem:791437 (CAS 68833-87-4), with molecular formula C16H14FeNO10S2 and molecular weight 499.94 g/mol. IUPAC: 2-[bis[(2-hydroxy-5-sulfonatophenyl)methyl]amino]acetate;iron(3+).
Chemical Property Profile of RefChem:791437
Property Insights of RefChem:791437
The XLogP value of -1.34 indicates that RefChem:791437 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 215.0 Ų indicates high polarity, suggesting RefChem:791437 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:791437 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:791437?
The CAS number of RefChem:791437 is 68833-87-4.
What is the molecular formula of RefChem:791437?
The molecular formula of RefChem:791437 is C16H14FeNO10S2.
What is the molecular weight of RefChem:791437?
The molecular weight of RefChem:791437 is 499.94 g/mol.
Where can I buy RefChem:791437?
You can request a quote for RefChem:791437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:791437?
Yes, KEHONG BIO provides custom synthesis services for RefChem:791437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.