氯化氨甲酰甲胆碱
TL;DR: 氯化氨甲酰甲胆碱 (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.
氯化氨甲酰甲胆碱
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
氯化氨甲酰甲胆碱 (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 氯化氨甲酰甲胆碱
Property Insights of 氯化氨甲酰甲胆碱
The XLogP value of -2.82 indicates that 氯化氨甲酰甲胆碱 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, 氯化氨甲酰甲胆碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯化氨甲酰甲胆碱 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 氯化氨甲酰甲胆碱?
The CAS number of 氯化氨甲酰甲胆碱 is 590-63-6.
What is the molecular formula of 氯化氨甲酰甲胆碱?
The molecular formula of 氯化氨甲酰甲胆碱 is C7H17ClN2O2.
What is the molecular weight of 氯化氨甲酰甲胆碱?
The molecular weight of 氯化氨甲酰甲胆碱 is 196.10 g/mol.
Where can I buy 氯化氨甲酰甲胆碱?
You can request a quote for 氯化氨甲酰甲胆碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯化氨甲酰甲胆碱?
Yes, KEHONG BIO provides custom synthesis services for 氯化氨甲酰甲胆碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.