Demecarium Bromide
TL;DR: Demecarium Bromide (CAS 56-94-0) is a chemical compound with molecular formula C32H52Br2N4O4 and molecular weight 714.23553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium dibromide
Also Known As: DEMECARIUM BROMIDE, Humorsol, Frumtosnil, Visumiotic, Tosmilene
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C32H52Br2N4O4 |
| Molecular Weight | 714.23553 g/mol |
| XLogP | 0.77 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 716.23346 Da |
| Heavy Atoms | 42 |
| Complexity | 686.0 |
| Solubility | FREELY SOL IN WATER, ALCOHOL; SPARINGLY SOL IN ACETONE; INSOL IN ETHER |
| 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 |
Product Description
Applications: Demecarium Bromide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Demecarium Bromide (CAS 56-94-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Demecarium Bromide (CAS 56-94-0) has the molecular formula C32H52Br2N4O4 and a molecular weight of 714.24 g/mol. Reported properties include a solubility: FREELY SOL IN WATER, ALCOHOL; SPARINGLY SOL IN ACETONE; INSOL IN ETHER. It is also known as DEMECARIUM BROMIDE and Humorsol.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 714.23553 g/mol.
What are the applications of Demecarium Bromide?
Demecarium Bromide is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Demecarium Bromide (CAS 56-94-0)...
Where can I buy Demecarium Bromide?
You can request a quote for Demecarium Bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Demecarium Bromide?
Yes, CoreyChem provides custom synthesis services for Demecarium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.