Bethanechol Chloride
TL;DR: Bethanechol Chloride (CAS 590-63-6) is a chemical compound with molecular formula C7H17ClN2O2 and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carbamoyloxypropyl(trimethyl)azanium chloride
Also Known As: Bethanechol chloride, Urecholine, bethanechol, Duvoid, Myotonachol
| Molecular Formula | C7H17ClN2O2 |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | -2.82 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.09785 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
| Solubility | >29.5 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 590-63-6 |
|---|---|
| SMILES | CC(C[N+](C)(C)C)OC(=O)N.[Cl-] |
| InChIKey | XXRMYXBSBOVVBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bethanechol Chloride (CAS 590-63-6), with molecular formula C7H17ClN2O2 and molecular weight 196.10 g/mol. IUPAC: 2-carbamoyloxypropyl(trimethyl)azanium chloride.
Chemical Property Profile of Bethanechol Chloride
Property Insights of Bethanechol Chloride
The XLogP value of -2.82 indicates that Bethanechol Chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.3 Ų, Bethanechol Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bethanechol Chloride has 1 hydrogen bond donor(s) and 3 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 Bethanechol Chloride?
The CAS number of Bethanechol Chloride is 590-63-6.
What is the molecular formula of Bethanechol Chloride?
The molecular formula of Bethanechol Chloride is C7H17ClN2O2.
What is the molecular weight of Bethanechol Chloride?
The molecular weight of Bethanechol Chloride is 196.10 g/mol.
Where can I buy Bethanechol Chloride?
You can request a quote for Bethanechol Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bethanechol Chloride?
Yes, KEHONG BIO provides custom synthesis services for Bethanechol Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.