Bethanechol
TL;DR: Bethanechol (CAS 674-38-4) is a chemical compound with molecular formula C7H17N2O2+ and molecular weight 161.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carbamoyloxypropyl(trimethyl)azanium
Also Known As: bethanechol, Bethanechol chloride, Besacholine, Bethanecol, Amidopropyldimethylbetaine
| Molecular Formula | C7H17N2O2+ |
|---|---|
| Molecular Weight | 161.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 161.129 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
| Melting Point | 217 - 221 °C (chloride salt) |
| Solubility | 3.11e-01 g/L |
Chemical Identifiers
| CAS Number | 674-38-4 |
|---|---|
| SMILES | CC(C[N+](C)(C)C)OC(=O)N |
| InChIKey | NZUPCNDJBJXXRF-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bethanechol (CAS 674-38-4), with molecular formula C7H17N2O2+ and molecular weight 161.13 g/mol. IUPAC: 2-carbamoyloxypropyl(trimethyl)azanium.
Chemical Property Profile of Bethanechol
Property Insights of Bethanechol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bethanechol. With a topological polar surface area (TPSA) of 52.3 Ų, Bethanechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bethanechol has 1 hydrogen bond donor(s) and 2 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?
The CAS number of Bethanechol is 674-38-4.
What is the molecular formula of Bethanechol?
The molecular formula of Bethanechol is C7H17N2O2+.
What is the molecular weight of Bethanechol?
The molecular weight of Bethanechol is 161.13 g/mol.
Where can I buy Bethanechol?
You can request a quote for Bethanechol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bethanechol?
Yes, KEHONG BIO provides custom synthesis services for Bethanechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.