RefChem:1058559
TL;DR: RefChem:1058559 (CAS 62913-15-9) is a chemical compound with molecular formula C44H62Br2N2O4 and molecular weight 840.31 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)-3-phenylprop-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)-3-phenylprop-2-enoate dibromide
Also Known As: Lendelofidinium, 4,4'-(1,10-decamethylene)bis-, dibromide, dicinnamate, 1H-Pyrrolizinium, 4,4'-(1,10-decamethylene)bis(hexahydro-1-hydroxymethyl-, dibromide, dicinnamate, (1R-trans)-, [(1R,8R)-4-[10-[(1R,8R)-1-[[(E)-3-phenylprop-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)-3-phenylprop-2-enoate dibromide
| Molecular Formula | C44H62Br2N2O4 |
|---|---|
| Molecular Weight | 840.31 g/mol |
| LogP | 2.6266 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 840.3076 |
| Heavy Atoms | 52 |
| Complexity | 1314.3392 |
Chemical Identifiers
| CAS Number | 62913-15-9 |
|---|---|
| SMILES | C1C[N+]2([C@H](C1)[C@@H](CC2)COC(=O)/C=C/C3=CC=CC=C3)CCCCCCCCCC[N+]45[C@@H]([C@@H](CC4)COC(=O)/C=C/C6=CC=CC=C6)CCC5.[Br-].[Br-] |
Product Overview
RefChem:1058559 (CAS 62913-15-9), with molecular formula C44H62Br2N2O4 and molecular weight 840.31 g/mol. IUPAC: [(1R,8R)-4-[10-[(1R,8R)-1-[[(E)-3-phenylprop-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)-3-phenylprop-2-enoate dibromide.
Chemical Property Profile of RefChem:1058559
Property Insights of RefChem:1058559
The XLogP value of 2.6266 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058559. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:1058559 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1058559 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:1058559?
The CAS number of RefChem:1058559 is 62913-15-9.
What is the molecular formula of RefChem:1058559?
The molecular formula of RefChem:1058559 is C44H62Br2N2O4.
What is the molecular weight of RefChem:1058559?
The molecular weight of RefChem:1058559 is 840.31 g/mol.
Where can I buy RefChem:1058559?
You can request a quote for RefChem:1058559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058559?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.