芥子碱
TL;DR: 芥子碱 (CAS 18696-26-9) is a chemical compound with molecular formula C16H24NO5+ and molecular weight 310.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
芥子碱
2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
Also Known As: Sinapine, Sinapoylcholine, C16H24NO5+, [2-(3,5-Dimethoxy-4-hydroxycinnamoyloxy)ethyl]trimethylaminium, 2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
| Molecular Formula | C16H24NO5+ |
|---|---|
| Molecular Weight | 310.17 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.16544 |
| Heavy Atoms | 22 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 18696-26-9 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC |
| InChIKey | HUJXHFRXWWGYQH-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
芥子碱 (CAS 18696-26-9), with molecular formula C16H24NO5+ and molecular weight 310.17 g/mol. IUPAC: 2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium.
Chemical Property Profile of 芥子碱
Property Insights of 芥子碱
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 芥子碱. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 芥子碱. Following Lipinski's Rule of Five, 芥子碱 has 1 hydrogen bond donor(s) and 5 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 芥子碱?
The CAS number of 芥子碱 is 18696-26-9.
What is the molecular formula of 芥子碱?
The molecular formula of 芥子碱 is C16H24NO5+.
What is the molecular weight of 芥子碱?
The molecular weight of 芥子碱 is 310.17 g/mol.
Where can I buy 芥子碱?
You can request a quote for 芥子碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 芥子碱?
Yes, KEHONG BIO provides custom synthesis services for 芥子碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.