RefChem:576475
TL;DR: RefChem:576475 (CAS 67939-06-4) is a chemical compound with molecular formula C36H21CrN5NaO9S and molecular weight 774.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;chromium(3+);3-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;hydron;3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
Also Known As: Chromate(2-), (3-(hydroxy-kappaO)-4-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-1-naphthalenesulfonato(3-))(1-((2-(hydroxy-kappaO)-4-nitrophenyl)azo-kappaN1)-2-naphthalenolato(2-)-kappaO)-, sodium hydrogen, Chromate(2-), (3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-1-naphthalenesulfonato(3-))(1-(2-(2-(hydroxy-kappaO)-4-nitrophenyl)diazenyl-kappaN1)-2-naphthalenolato(2-)-kappaO)-, sodium hydrogen (1:1:1), Chromate(2-), (3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-1-naphthalenesulfonato(3-))(1-((2-hydroxy-4-nitrophenyl)azo)-2-naphthalenolato(2-))-, sodium hydrogen, chromium(3+) hydrogen sodium 4-[2-(2-oxidonaphthalen-1-yl)diazan-2-id-1-ylidene]-3-oxo-3,4-dihydronaphthalene-1-sulfonate({3-oxo-4-[(3-oxonaphthalen-2(3h)-ylidene)hydrazinylidene]cyclohexa-1,5-dien-1-yl}imino)dioxidanide(1:1:1:1:1), Hydrogen sodium (3-hydroxy-4-((2-hydroxy-1-naphthyl)azo)naphthalene-1-sulphonato(3-))(1-((2-hydroxy-4-nitrophenyl)azo)-2-naphtholato(2-))chromate(2-)
| Molecular Formula | C36H21CrN5NaO9S |
|---|---|
| Molecular Weight | 774.04 g/mol |
| LogP | 0.52 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 3 |
| Exact Mass | 774.03625 |
| Heavy Atoms | 53 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 67939-06-4 |
|---|---|
| SMILES | [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])[O-])[O-].C1=CC2=CC(=NN=C3C=CC(=CC3=O)N([O-])[O-])C(=O)C=C2C=C1.[Na+].[Cr+3] |
| InChIKey | LMFOMPYCXIPXST-UHFFFAOYSA-L |
Product Overview
RefChem:576475 (CAS 67939-06-4), with molecular formula C36H21CrN5NaO9S and molecular weight 774.04 g/mol. IUPAC: sodium;chromium(3+);3-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;hydron;3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate.
Chemical Property Profile of RefChem:576475
Property Insights of RefChem:576475
The XLogP value of 0.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:576475. The TPSA of 245.0 Ų indicates high polarity, suggesting RefChem:576475 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576475 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:576475?
The CAS number of RefChem:576475 is 67939-06-4.
What is the molecular formula of RefChem:576475?
The molecular formula of RefChem:576475 is C36H21CrN5NaO9S.
What is the molecular weight of RefChem:576475?
The molecular weight of RefChem:576475 is 774.04 g/mol.
Where can I buy RefChem:576475?
You can request a quote for RefChem:576475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576475?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.