RefChem:549058
TL;DR: RefChem:549058 (CAS 71566-33-1) is a chemical compound with molecular formula C48H44CrN6O8S and molecular weight 916.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chromium(2+);4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate
Also Known As: [9-(2-Carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chromium(2+);4-(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl-3-oxidonaphthalene-1-sulfonate|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium (4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxynaphthalene-1-sulphonato(3-))chromate(1-)|9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium [4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxynaphthalene-1-sulphonato(3-)]chromate(1-)|Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, (4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))chromate(1-)|Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, [4-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-1-naphthalenesulfonato(3-)]chromate(1-)|[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium; chromium(2+); 4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate|275-632-5|9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthen-10-ium chromium(2+) 4-[(E)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-id-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate (1/1/1)|Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, [4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]chromate(1-)|RefChem:549058|EINECS 275-632-5
| Molecular Formula | C48H44CrN6O8S |
|---|---|
| Molecular Weight | 916.23 g/mol |
| LogP | 8.36 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 916.2346 |
| Heavy Atoms | 64 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 71566-33-1 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Cr+2] |
| InChIKey | MEKOKUXFEUYCAD-UHFFFAOYSA-L |
Product Overview
RefChem:549058 (CAS 71566-33-1), with molecular formula C48H44CrN6O8S and molecular weight 916.23 g/mol. IUPAC: [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium;chromium(2+);4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate.
Chemical Property Profile of RefChem:549058
Property Insights of RefChem:549058
The XLogP value of 8.36 indicates that RefChem:549058 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.0 Ų indicates high polarity, suggesting RefChem:549058 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:549058 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:549058?
The CAS number of RefChem:549058 is 71566-33-1.
What is the molecular formula of RefChem:549058?
The molecular formula of RefChem:549058 is C48H44CrN6O8S.
What is the molecular weight of RefChem:549058?
The molecular weight of RefChem:549058 is 916.23 g/mol.
Where can I buy RefChem:549058?
You can request a quote for RefChem:549058 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:549058?
Yes, KEHONG BIO provides custom synthesis services for RefChem:549058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.