Decamethylene-1,10-bistrachelanthanium dibromide
TL;DR: Decamethylene-1,10-bistrachelanthanium dibromide (CAS 62960-81-0) is a chemical compound with molecular formula C40H74Br2N2O8 and molecular weight 868.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[10-[1-[[2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-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: Decamethylene-1,10-bistrachelanthanium dibromide, Viridiflorinium, 4,4'-decamethylenebis-, dibromide, Trachelanthaminium, 1,10-decamethylenebis-, dibromide, 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, bis(2,3-dihydroxy-2-isopropylbutyrate), (1R-(1-alpha(2S*,3R*),3a-alpha))-, 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, bis(2,3-dihydroxy-2-isopropylbutyrate), (1R-(1-alpha(2S*,3S*),7a-alpha))-
| Molecular Formula | C40H74Br2N2O8 |
|---|---|
| Molecular Weight | 868.38 g/mol |
| LogP | -1.2644 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 868.38116 |
| Heavy Atoms | 52 |
| Complexity | 1009.4551 |
Chemical Identifiers
| CAS Number | 62960-81-0 |
|---|---|
| SMILES | CC(C)C(C(C)O)(C(=O)OCC1CC[N+]2(C1CCC2)CCCCCCCCCC[N+]34CCCC3C(CC4)COC(=O)C(C(C)C)(C(C)O)O)O.[Br-].[Br-] |
Product Overview
Decamethylene-1,10-bistrachelanthanium dibromide (CAS 62960-81-0), with molecular formula C40H74Br2N2O8 and molecular weight 868.38 g/mol. IUPAC: [4-[10-[1-[[2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-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 Decamethylene-1,10-bistrachelanthanium dibromide
Property Insights of Decamethylene-1,10-bistrachelanthanium dibromide
The XLogP value of -1.2644 indicates that Decamethylene-1,10-bistrachelanthanium 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 Decamethylene-1,10-bistrachelanthanium dibromide. Following Lipinski's Rule of Five, Decamethylene-1,10-bistrachelanthanium 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 Decamethylene-1,10-bistrachelanthanium dibromide?
The CAS number of Decamethylene-1,10-bistrachelanthanium dibromide is 62960-81-0.
What is the molecular formula of Decamethylene-1,10-bistrachelanthanium dibromide?
The molecular formula of Decamethylene-1,10-bistrachelanthanium dibromide is C40H74Br2N2O8.
What is the molecular weight of Decamethylene-1,10-bistrachelanthanium dibromide?
The molecular weight of Decamethylene-1,10-bistrachelanthanium dibromide is 868.38 g/mol.
Where can I buy Decamethylene-1,10-bistrachelanthanium dibromide?
You can request a quote for Decamethylene-1,10-bistrachelanthanium dibromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decamethylene-1,10-bistrachelanthanium dibromide?
Yes, KEHONG BIO provides custom synthesis services for Decamethylene-1,10-bistrachelanthanium dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.