RefChem:576466
TL;DR: RefChem:576466 (CAS 5877-56-5) is a chemical compound with molecular formula C38H27CrN10Na2O11S2 and molecular weight 961.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;chromium(3+);3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate;3-methyl-4-[[2-oxido-5-(phenylsulfamoyl)phenyl]diazenyl]-1-phenylpyrazol-5-olate
Also Known As: O3-de-(N-acetyl-N-methyl-L-alanyl)-maytansine, Chromate(2-), (3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-N-phenylbenzenesulfonamidato(2-))-, disodium, Chromate(2-), (3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-N-phenylbenzenesulfonamidato(2-))-, disodium, Chromate(2-), (3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-N-phenylbenzenesulfonamidato(2-))-, sodium (1:2), Chromate(2-), [3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonato(3-)][3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-N-phenylbenzenesulfonamidato(2-)]-, disodium
| Molecular Formula | C38H27CrN10Na2O11S2 |
|---|---|
| Molecular Weight | 961.05 g/mol |
| LogP | -0.89476 |
| Topological Polar Surface Area | 343.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 961.05023 |
| Heavy Atoms | 64 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 5877-56-5 |
|---|---|
| SMILES | CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3)[O-])[O-])C4=CC=CC=C4.CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.[Na+].[Na+].[Cr+3] |
| InChIKey | WNVYPIUEPPVYFD-UHFFFAOYSA-I |
Product Overview
RefChem:576466 (CAS 5877-56-5), with molecular formula C38H27CrN10Na2O11S2 and molecular weight 961.05 g/mol. IUPAC: disodium;chromium(3+);3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-2-oxidobenzenesulfonate;3-methyl-4-[[2-oxido-5-(phenylsulfamoyl)phenyl]diazenyl]-1-phenylpyrazol-5-olate.
Chemical Property Profile of RefChem:576466
Property Insights of RefChem:576466
The XLogP value of -0.89476 indicates that RefChem:576466 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 343.0 Ų indicates high polarity, suggesting RefChem:576466 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576466 has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576466?
The CAS number of RefChem:576466 is 5877-56-5.
What is the molecular formula of RefChem:576466?
The molecular formula of RefChem:576466 is C38H27CrN10Na2O11S2.
What is the molecular weight of RefChem:576466?
The molecular weight of RefChem:576466 is 961.05 g/mol.
Where can I buy RefChem:576466?
You can request a quote for RefChem:576466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576466?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.