RefChem:1058560
TL;DR: RefChem:1058560 (CAS 62913-14-8) is a chemical compound with molecular formula C34H58Br2N2O4 and molecular weight 716.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,8R)-4-[10-[(1R,8R)-1-[[(E)-but-2-enoyl]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 (E)-but-2-enoate dibromide
Also Known As: Lendelofidinium, 4,4'-(1,10-decamethylene)bis-, dibromide dicrotonate, 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromidedicrotonate, (1R-trans)-, [(1R,8R)-4-[10-[(1R,8R)-1-[[(E)-but-2-enoyl]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 (E)-but-2-enoate dibromide, RefChem:1058560
| Molecular Formula | C34H58Br2N2O4 |
|---|---|
| Molecular Weight | 716.28 g/mol |
| LogP | 0.352 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 716.2763 |
| Heavy Atoms | 42 |
| Complexity | 813.6032 |
Chemical Identifiers
| CAS Number | 62913-14-8 |
|---|---|
| SMILES | C/C=C/C(=O)OC[C@H]1[C@@H]2[N+](CC1)(CCC2)CCCCCCCCCC[N+]34[C@@H]([C@@H](CC3)COC(=O)/C=C/C)CCC4.[Br-].[Br-] |
Product Overview
RefChem:1058560 (CAS 62913-14-8), with molecular formula C34H58Br2N2O4 and molecular weight 716.28 g/mol. IUPAC: [(1R,8R)-4-[10-[(1R,8R)-1-[[(E)-but-2-enoyl]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 (E)-but-2-enoate dibromide.
Chemical Property Profile of RefChem:1058560
Property Insights of RefChem:1058560
The XLogP value of 0.352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058560. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:1058560 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058560 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:1058560?
The CAS number of RefChem:1058560 is 62913-14-8.
What is the molecular formula of RefChem:1058560?
The molecular formula of RefChem:1058560 is C34H58Br2N2O4.
What is the molecular weight of RefChem:1058560?
The molecular weight of RefChem:1058560 is 716.28 g/mol.
Where can I buy RefChem:1058560?
You can request a quote for RefChem:1058560 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058560?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058560 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.