甜菜碱
TL;DR: 甜菜碱 (CAS 107-43-7) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甜菜碱
2-(trimethylazaniumyl)acetate
Also Known As: betaine, glycine betaine, oxyneurine, Trimethylglycine, lycine
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 87.0 |
| Melting Point | 301-305°C |
| Solubility | Soluble |
| Vapor Pressure | 0.00000053 [mmHg] |
Chemical Identifiers
| CAS Number | 107-43-7 |
|---|---|
| SMILES | C[N+](C)(C)CC(=O)[O-] |
| InChIKey | KWIUHFFTVRNATP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甜菜碱 (CAS 107-43-7), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: 2-(trimethylazaniumyl)acetate.
Chemical Property Profile of 甜菜碱
Property Insights of 甜菜碱
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甜菜碱. With a topological polar surface area (TPSA) of 40.1 Ų, 甜菜碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甜菜碱 has 0 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 甜菜碱?
The CAS number of 甜菜碱 is 107-43-7.
What is the molecular formula of 甜菜碱?
The molecular formula of 甜菜碱 is C5H11NO2.
What is the molecular weight of 甜菜碱?
The molecular weight of 甜菜碱 is 117.08 g/mol.
Where can I buy 甜菜碱?
You can request a quote for 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 甜菜碱?
Yes, KEHONG BIO provides custom synthesis services for 甜菜碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.