Octamethylene-1,8-bisviridiflorinium dibromide
TL;DR: Octamethylene-1,8-bisviridiflorinium dibromide (CAS 62989-84-8) is a chemical compound with molecular formula C38H70Br2N2O8 and molecular weight 840.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[8-[1-[[2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]octyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate dibromide
Also Known As: Octamethylene-1,8-bisviridiflorinium dibromide, 4,4'-Octamethylenebislindelophinium dibromide, Lindelophinium, 4,4'-octamethylenebis-, dibromide, 1H-Pyrrolizinium, 4,4'-(1,8-octamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, bis(2,3-dihydroxy-2-isopropylbutyrate), (1R-(1-alpha(2S*,3R*),7a-beta))-, 1H-Pyrrolizinium, 4,4'-(1,8-octamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, bis(2,3-dihydroxy-2-isopropylbutyrate), (1R-(1-alpha(2S*,3S*),7a-alpha))-
| Molecular Formula | C38H70Br2N2O8 |
|---|---|
| Molecular Weight | 840.35 g/mol |
| LogP | -2.0446 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 19 |
| Exact Mass | 840.3499 |
| Heavy Atoms | 50 |
| Complexity | 979.4101 |
Chemical Identifiers
| CAS Number | 62989-84-8 |
|---|---|
| SMILES | CC(C)C(C(C)O)(C(=O)OCC1CC[N+]2(C1CCC2)CCCCCCCC[N+]34CCCC3C(CC4)COC(=O)C(C(C)C)(C(C)O)O)O.[Br-].[Br-] |
Product Overview
Octamethylene-1,8-bisviridiflorinium dibromide (CAS 62989-84-8), with molecular formula C38H70Br2N2O8 and molecular weight 840.35 g/mol. IUPAC: [4-[8-[1-[[2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]octyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate dibromide.
Chemical Property Profile of Octamethylene-1,8-bisviridiflorinium dibromide
Property Insights of Octamethylene-1,8-bisviridiflorinium dibromide
The XLogP value of -2.0446 indicates that Octamethylene-1,8-bisviridiflorinium dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Octamethylene-1,8-bisviridiflorinium dibromide. Following Lipinski's Rule of Five, Octamethylene-1,8-bisviridiflorinium dibromide has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octamethylene-1,8-bisviridiflorinium dibromide?
The CAS number of Octamethylene-1,8-bisviridiflorinium dibromide is 62989-84-8.
What is the molecular formula of Octamethylene-1,8-bisviridiflorinium dibromide?
The molecular formula of Octamethylene-1,8-bisviridiflorinium dibromide is C38H70Br2N2O8.
What is the molecular weight of Octamethylene-1,8-bisviridiflorinium dibromide?
The molecular weight of Octamethylene-1,8-bisviridiflorinium dibromide is 840.35 g/mol.
Where can I buy Octamethylene-1,8-bisviridiflorinium dibromide?
You can request a quote for Octamethylene-1,8-bisviridiflorinium dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octamethylene-1,8-bisviridiflorinium dibromide?
Yes, KEHONG BIO provides custom synthesis services for Octamethylene-1,8-bisviridiflorinium dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.