RefChem:240731
TL;DR: RefChem:240731 (CAS 62960-83-2) is a chemical compound with molecular formula C30H54Br2N2O4 and molecular weight 664.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,8S)-4-[10-[(1R,8S)-1-(acetyloxymethyl)-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 acetate dibromide
Also Known As: Trachelanthamidinium, 4,4'-decamethylenebis-, dibromide, diacetate, 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, diacetate, (1R-cis)-, 4,4'-(Decane-1,10-diyl)bis{1-[(acetyloxy)methyl]hexahydro-1H-pyrrolizin-4-ium} dibromide, (1R,1'R,7aS,7'aS)-4,4'-(Decane-1,10-diyl)bis{1-[(acetyloxy)methyl]hexahydro-1H-pyrrolizin-4-ium} dibromide, [(1R,8S)-4-[10-[(1R,8S)-1-(acetyloxymethyl)-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 acetate dibromide
| Molecular Formula | C30H54Br2N2O4 |
|---|---|
| Molecular Weight | 664.25 g/mol |
| LogP | -0.7604 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 664.24506 |
| Heavy Atoms | 38 |
| Complexity | 681.0414 |
Chemical Identifiers
| CAS Number | 62960-83-2 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1CC[N+]2([C@H]1CCC2)CCCCCCCCCC[N+]34CCC[C@H]3[C@@H](CC4)COC(=O)C.[Br-].[Br-] |
Product Overview
RefChem:240731 (CAS 62960-83-2), with molecular formula C30H54Br2N2O4 and molecular weight 664.25 g/mol. IUPAC: [(1R,8S)-4-[10-[(1R,8S)-1-(acetyloxymethyl)-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 acetate dibromide.
Chemical Property Profile of RefChem:240731
Property Insights of RefChem:240731
The XLogP value of -0.7604 indicates that RefChem:240731 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:240731 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:240731 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:240731?
The CAS number of RefChem:240731 is 62960-83-2.
What is the molecular formula of RefChem:240731?
The molecular formula of RefChem:240731 is C30H54Br2N2O4.
What is the molecular weight of RefChem:240731?
The molecular weight of RefChem:240731 is 664.25 g/mol.
Where can I buy RefChem:240731?
You can request a quote for RefChem:240731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:240731?
Yes, KEHONG BIO provides custom synthesis services for RefChem:240731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.