卡巴胆碱
TL;DR: 卡巴胆碱 (CAS 51-83-2) is a chemical compound with molecular formula C6H15ClN2O2 and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
卡巴胆碱
2-carbamoyloxyethyl(trimethyl)azanium chloride
Also Known As: carbachol, Carbastat, Miostat, Carbacholin, Carbacholine
| Molecular Formula | C6H15ClN2O2 |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | -3.21 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.0822 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
| Melting Point | 392 to 205.0 °C |
| Solubility | 1 g in 1 ml water |
Chemical Identifiers
| CAS Number | 51-83-2 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)N.[Cl-] |
| InChIKey | AIXAANGOTKPUOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
卡巴胆碱 (CAS 51-83-2), with molecular formula C6H15ClN2O2 and molecular weight 182.08 g/mol. IUPAC: 2-carbamoyloxyethyl(trimethyl)azanium chloride.
Chemical Property Profile of 卡巴胆碱
Property Insights of 卡巴胆碱
The XLogP value of -3.21 indicates that 卡巴胆碱 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, 卡巴胆碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 卡巴胆碱 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 卡巴胆碱?
The CAS number of 卡巴胆碱 is 51-83-2.
What is the molecular formula of 卡巴胆碱?
The molecular formula of 卡巴胆碱 is C6H15ClN2O2.
What is the molecular weight of 卡巴胆碱?
The molecular weight of 卡巴胆碱 is 182.08 g/mol.
Where can I buy 卡巴胆碱?
You can request a quote for 卡巴胆碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 卡巴胆碱?
Yes, KEHONG BIO provides custom synthesis services for 卡巴胆碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.