RefChem:401900
TL;DR: RefChem:401900 (CAS 68541-72-0) is a chemical compound with molecular formula C20H13CrN4O5S and molecular weight 473.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate
Also Known As: (4-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxynaphthalene-1-sulphonato(3-))chromium, Chromium, (4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxy-1-naphthalenesulfonato(3-))-, Chromium, (4-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-, [4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxynaphthalene-1-sulphonato(3-)]chromium, Chromium, [4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-
| Molecular Formula | C20H13CrN4O5S |
|---|---|
| Molecular Weight | 473.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 473.00116 |
| Heavy Atoms | 31 |
| Complexity | 710.0 |
Chemical Identifiers
| CAS Number | 68541-72-0 |
|---|---|
| SMILES | CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC=CC=C4.[Cr+3] |
| InChIKey | WUDKWDJHMUEONP-UHFFFAOYSA-K |
Product Overview
RefChem:401900 (CAS 68541-72-0), with molecular formula C20H13CrN4O5S and molecular weight 473.00 g/mol. IUPAC: chromium(3+);4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate.
Chemical Property Profile of RefChem:401900
Property Insights of RefChem:401900
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:401900. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:401900 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:401900 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:401900?
The CAS number of RefChem:401900 is 68541-72-0.
What is the molecular formula of RefChem:401900?
The molecular formula of RefChem:401900 is C20H13CrN4O5S.
What is the molecular weight of RefChem:401900?
The molecular weight of RefChem:401900 is 473.00 g/mol.
Where can I buy RefChem:401900?
You can request a quote for RefChem:401900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:401900?
Yes, KEHONG BIO provides custom synthesis services for RefChem:401900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.