氯醛甜菜碱
TL;DR: 氯醛甜菜碱 (CAS 2218-68-0) is a chemical compound with molecular formula C7H14Cl3NO4 and molecular weight 281.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯醛甜菜碱
2,2,2-trichloroethane-1,1-diol;2-(trimethylazaniumyl)acetate
Also Known As: Cloral betaine, CHLORAL BETAINE, Betainchloralum, Somnalchlor, Somilan
| Molecular Formula | C7H14Cl3NO4 |
|---|---|
| Molecular Weight | 281.00 g/mol |
| LogP | -0.89 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.99884 |
| Heavy Atoms | 15 |
| Complexity | 144.0 |
| Melting Point | 122.5-124.4 |
Chemical Identifiers
| CAS Number | 2218-68-0 |
|---|---|
| SMILES | C[N+](C)(C)CC(=O)[O-].C(C(Cl)(Cl)Cl)(O)O |
| InChIKey | ONAOIDNSINNZOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯醛甜菜碱 (CAS 2218-68-0), with molecular formula C7H14Cl3NO4 and molecular weight 281.00 g/mol. IUPAC: 2,2,2-trichloroethane-1,1-diol;2-(trimethylazaniumyl)acetate.
Chemical Property Profile of 氯醛甜菜碱
Property Insights of 氯醛甜菜碱
The XLogP value of -0.89 indicates that 氯醛甜菜碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯醛甜菜碱. Following Lipinski's Rule of Five, 氯醛甜菜碱 has 2 hydrogen bond donor(s) and 4 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 氯醛甜菜碱?
The CAS number of 氯醛甜菜碱 is 2218-68-0.
What is the molecular formula of 氯醛甜菜碱?
The molecular formula of 氯醛甜菜碱 is C7H14Cl3NO4.
What is the molecular weight of 氯醛甜菜碱?
The molecular weight of 氯醛甜菜碱 is 281.00 g/mol.
Where can I buy 氯醛甜菜碱?
You can request a quote for 氯醛甜菜碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯醛甜菜碱?
Yes, KEHONG BIO provides custom synthesis services for 氯醛甜菜碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.