Demecarium
TL;DR: Demecarium (CAS 16505-84-3) is a chemical compound with molecular formula C32H52N4O4+2 and molecular weight 556.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium
Also Known As: Demecarium, Demecarium ion, Demecarium cation, demarcarium, Demecarium [VANDF]
| Molecular Formula | C32H52N4O4+2 |
|---|---|
| Molecular Weight | 556.40 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 556.39886 |
| Heavy Atoms | 40 |
| Complexity | 686.0 |
| Melting Point | 164-170 |
| Solubility | 1.69e-05 g/L |
Chemical Identifiers
| CAS Number | 16505-84-3 |
|---|---|
| SMILES | CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C |
| InChIKey | RWZVPVOZTJJMNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demecarium (CAS 16505-84-3), with molecular formula C32H52N4O4+2 and molecular weight 556.40 g/mol. IUPAC: trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium.
Chemical Property Profile of Demecarium
Property Insights of Demecarium
The XLogP value of 6.6 indicates that Demecarium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, Demecarium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demecarium 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 Demecarium?
The CAS number of Demecarium is 16505-84-3.
What is the molecular formula of Demecarium?
The molecular formula of Demecarium is C32H52N4O4+2.
What is the molecular weight of Demecarium?
The molecular weight of Demecarium is 556.40 g/mol.
Where can I buy Demecarium?
You can request a quote for Demecarium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demecarium?
Yes, KEHONG BIO provides custom synthesis services for Demecarium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.