Einecs 243-855-7
TL;DR: Einecs 243-855-7 (CAS 209673-37-0) is a chemical compound with molecular formula C54H58Cl2CoN9O8S2 and molecular weight 1153.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;bis(1-(3-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate);cobalt(3+);hydron
Also Known As: cobalt(3+) hydrogen 1-(3-chlorophenyl)-3-methyl-4-{(e)-[5-(methylsulfonyl)-2-oxidophenyl]diazenyl}-1h-pyrazol-5-olate abieta-8,11,13-trien-18-amine(1:1:2:1), [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; 2-(3-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-3-olate; cobalt(3+); hydron, 3H-Pyrazol-3-one, 2-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-(methylsulfonyl)phenyl]azo]-5-methyl-, cobalt complex, Cobalt(3+) hydrogen 2-{[1-(3-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-id-4-yl]diazenyl}-4-(methanesulfonyl)phenolate--abieta-8,11,13-trien-18-amine (1/1/2/1), Cobaltate(1-), bis(2-(3-chlorophenyl)-2,4-dihydro-4-((2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)azo-kappaN2)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen, compd. with (1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenemethanamine (1:1)
| Molecular Formula | C54H58Cl2CoN9O8S2 |
|---|---|
| Molecular Weight | 1153.26 g/mol |
| LogP | 10.48944 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 1153.2559 |
| Heavy Atoms | 76 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 209673-37-0 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C.[Co+3] |
| InChIKey | PNUBKMPJXBOYGD-CLYBICPXSA-K |
Product Overview
Einecs 243-855-7 (CAS 209673-37-0), with molecular formula C54H58Cl2CoN9O8S2 and molecular weight 1153.26 g/mol. IUPAC: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;bis(1-(3-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate);cobalt(3+);hydron.
Chemical Property Profile of Einecs 243-855-7
Property Insights of Einecs 243-855-7
The XLogP value of 10.48944 indicates that Einecs 243-855-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 288.0 Ų indicates high polarity, suggesting Einecs 243-855-7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 243-855-7 has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 243-855-7?
The CAS number of Einecs 243-855-7 is 209673-37-0.
What is the molecular formula of Einecs 243-855-7?
The molecular formula of Einecs 243-855-7 is C54H58Cl2CoN9O8S2.
What is the molecular weight of Einecs 243-855-7?
The molecular weight of Einecs 243-855-7 is 1153.26 g/mol.
Where can I buy Einecs 243-855-7?
You can request a quote for Einecs 243-855-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 243-855-7?
Yes, KEHONG BIO provides custom synthesis services for Einecs 243-855-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.