Demecarium Bromide
TL;DR: Demecarium Bromide (CAS 56-94-0) is a chemical compound with molecular formula C32H52Br2N4O4 and molecular weight 714.24 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 dibromide
Also Known As: DEMECARIUM BROMIDE, Humorsol, Frumtosnil, Visumiotic, Tosmilene
| Molecular Formula | C32H52Br2N4O4 |
|---|---|
| Molecular Weight | 714.24 g/mol |
| LogP | 0.77 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 716.23346 |
| Heavy Atoms | 42 |
| Complexity | 686.0 |
| Solubility | FREELY SOL IN WATER, ALCOHOL; SPARINGLY SOL IN ACETONE; INSOL IN ETHER |
Chemical Identifiers
| CAS Number | 56-94-0 |
|---|---|
| SMILES | CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C.[Br-].[Br-] |
| InChIKey | YHKBUDZECQDYBR-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Demecarium Bromide (CAS 56-94-0), with molecular formula C32H52Br2N4O4 and molecular weight 714.24 g/mol. IUPAC: trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium dibromide.
Chemical Property Profile of Demecarium Bromide
Property Insights of Demecarium Bromide
The XLogP value of 0.77 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demecarium Bromide. With a topological polar surface area (TPSA) of 59.1 Ų, Demecarium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demecarium Bromide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Demecarium Bromide?
The CAS number of Demecarium Bromide is 56-94-0.
What is the molecular formula of Demecarium Bromide?
The molecular formula of Demecarium Bromide is C32H52Br2N4O4.
What is the molecular weight of Demecarium Bromide?
The molecular weight of Demecarium Bromide is 714.24 g/mol.
Where can I buy Demecarium Bromide?
You can request a quote for Demecarium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demecarium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Demecarium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.