Einecs 254-539-3
TL;DR: Einecs 254-539-3 (CAS 4144-29-0) is a chemical compound with molecular formula C45H50CrN9O7 and molecular weight 880.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);3-(2-ethylhexoxy)propan-1-amine;hydron;bis(2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate)
Also Known As: Chromate(1-), bis(2-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)benzoato(2-)-kappaO)-, hydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1), Chromate(1-), bis(2-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)benzoato(2-)-kappaO)-, hydrogen, compd. with 3-((2-ethylhexyl)oxy)-1-propanamine (1:1:1), Chromate(1-), bis[2-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]benzoato(2-)-.kappa.O]-, hydrogen, compd. with 3-[(2-ethylhexyl)oxy]-1-propanamine (1:1), chromium(3+) hydrogen 2-[(e)-(3-methyl-5-oxido-1-phenyl-1h-pyrazol-4-yl)diazenyl]benzoate- 3-[(2-ethylhexyl)oxy]propan-1-amine(1:1:2:1), Hydrogen bis(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(2-))chromate(1-), compound with 3-((2-ethylhexyl)oxy)propylamine (1:1)
| Molecular Formula | C45H50CrN9O7 |
|---|---|
| Molecular Weight | 880.32 g/mol |
| LogP | 6.74464 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 880.32385 |
| Heavy Atoms | 62 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 4144-29-0 |
|---|---|
| SMILES | [H+].CCCCC(CC)COCCCN.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.[Cr+3] |
| InChIKey | UMGRPQRGAMKKDO-UHFFFAOYSA-K |
Product Overview
Einecs 254-539-3 (CAS 4144-29-0), with molecular formula C45H50CrN9O7 and molecular weight 880.32 g/mol. IUPAC: chromium(3+);3-(2-ethylhexoxy)propan-1-amine;hydron;bis(2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate).
Chemical Property Profile of Einecs 254-539-3
Property Insights of Einecs 254-539-3
The XLogP value of 6.74464 indicates that Einecs 254-539-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 247.0 Ų indicates high polarity, suggesting Einecs 254-539-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 254-539-3 has 2 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 Einecs 254-539-3?
The CAS number of Einecs 254-539-3 is 4144-29-0.
What is the molecular formula of Einecs 254-539-3?
The molecular formula of Einecs 254-539-3 is C45H50CrN9O7.
What is the molecular weight of Einecs 254-539-3?
The molecular weight of Einecs 254-539-3 is 880.32 g/mol.
Where can I buy Einecs 254-539-3?
You can request a quote for Einecs 254-539-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 254-539-3?
Yes, KEHONG BIO provides custom synthesis services for Einecs 254-539-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.