Heliotrinium, 4,4'-decamethylenebis-, dibromide
TL;DR: Heliotrinium, 4,4'-decamethylenebis-, dibromide (CAS 62913-16-0) is a chemical compound with molecular formula C42H74Br2N2O10 and molecular weight 924.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-hydroxy-4-[10-[1-hydroxy-7-[[2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoyl]oxymethyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate dibromide
Also Known As: Heliotrinium, 4,4'-decamethylenebis-, dibromide, 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, bis(2-hydroxy-1-methoxyethyl-3-methylbutyrate), (1S-(1-alpha(2R*,3S*),7a-alpha))-, [7-hydroxy-4-[10-[1-hydroxy-7-[[2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoyl]oxymethyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate dibromide, 4,4'-(Decane-1,10-diyl)bis[1-hydroxy-7-({[2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-4-ium] dibromide
| Molecular Formula | C42H74Br2N2O10 |
|---|---|
| Molecular Weight | 924.37 g/mol |
| LogP | -2.1744 |
| Topological Polar Surface Area | 151.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Exact Mass | 924.37103 |
| Heavy Atoms | 56 |
| Complexity | 1235.9984 |
Chemical Identifiers
| CAS Number | 62913-16-0 |
|---|---|
| SMILES | CC(C)C(C(C)OC)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)CCCCCCCCCC[N+]34CCC(C3C(=CC4)COC(=O)C(C(C)C)(C(C)OC)O)O)O.[Br-].[Br-] |
Product Overview
Heliotrinium, 4,4'-decamethylenebis-, dibromide (CAS 62913-16-0), with molecular formula C42H74Br2N2O10 and molecular weight 924.37 g/mol. IUPAC: [7-hydroxy-4-[10-[1-hydroxy-7-[[2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoyl]oxymethyl]-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate dibromide.
Chemical Property Profile of Heliotrinium, 4,4'-decamethylenebis-, dibromide
Property Insights of Heliotrinium, 4,4'-decamethylenebis-, dibromide
The XLogP value of -2.1744 indicates that Heliotrinium, 4,4'-decamethylenebis-, dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.98 Ų indicates high polarity, suggesting Heliotrinium, 4,4'-decamethylenebis-, dibromide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heliotrinium, 4,4'-decamethylenebis-, dibromide has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Heliotrinium, 4,4'-decamethylenebis-, dibromide?
The CAS number of Heliotrinium, 4,4'-decamethylenebis-, dibromide is 62913-16-0.
What is the molecular formula of Heliotrinium, 4,4'-decamethylenebis-, dibromide?
The molecular formula of Heliotrinium, 4,4'-decamethylenebis-, dibromide is C42H74Br2N2O10.
What is the molecular weight of Heliotrinium, 4,4'-decamethylenebis-, dibromide?
The molecular weight of Heliotrinium, 4,4'-decamethylenebis-, dibromide is 924.37 g/mol.
Where can I buy Heliotrinium, 4,4'-decamethylenebis-, dibromide?
You can request a quote for Heliotrinium, 4,4'-decamethylenebis-, dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heliotrinium, 4,4'-decamethylenebis-, dibromide?
Yes, KEHONG BIO provides custom synthesis services for Heliotrinium, 4,4'-decamethylenebis-, dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.