Hexcarbacholine
TL;DR: Hexcarbacholine (CAS 13309-41-6) is a chemical compound with molecular formula C18H40N4O4+2 and molecular weight 376.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[6-[2-(trimethylazaniumyl)ethoxycarbonylamino]hexylcarbamoyloxy]ethyl]azanium
Also Known As: HEXCARBACHOLINE, Carbolonium, calbogen, Hexcarbacholine ion, Imbretil
| Molecular Formula | C18H40N4O4+2 |
|---|---|
| Molecular Weight | 376.30 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 376.30496 |
| Heavy Atoms | 26 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 13309-41-6 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)NCCCCCCNC(=O)OCC[N+](C)(C)C |
| InChIKey | MBWXZXUOKTXXBU-UHFFFAOYSA-P |
Product Overview
Hexcarbacholine (CAS 13309-41-6), with molecular formula C18H40N4O4+2 and molecular weight 376.30 g/mol. IUPAC: trimethyl-[2-[6-[2-(trimethylazaniumyl)ethoxycarbonylamino]hexylcarbamoyloxy]ethyl]azanium.
Chemical Property Profile of Hexcarbacholine
Property Insights of Hexcarbacholine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexcarbacholine. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexcarbacholine. Following Lipinski's Rule of Five, Hexcarbacholine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexcarbacholine?
The CAS number of Hexcarbacholine is 13309-41-6.
What is the molecular formula of Hexcarbacholine?
The molecular formula of Hexcarbacholine is C18H40N4O4+2.
What is the molecular weight of Hexcarbacholine?
The molecular weight of Hexcarbacholine is 376.30 g/mol.
Where can I buy Hexcarbacholine?
You can request a quote for Hexcarbacholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexcarbacholine?
Yes, KEHONG BIO provides custom synthesis services for Hexcarbacholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.