β-高甜菜碱甲酯
TL;DR: β-高甜菜碱甲酯 (CAS 16271-53-7) is a chemical compound with molecular formula C7H16NO2+ and molecular weight 146.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
β-高甜菜碱甲酯
(3-methoxy-3-oxopropyl)-trimethylazanium
Also Known As: BHBME, beta-Homobetaine methyl ester, (3-methoxy-3-oxopropyl)-trimethylazanium, Ethanedithioamide,N,N'-di-2-propenyl, (3-methoxy-3-oxopropyl)trimethylazanium
| Molecular Formula | C7H16NO2+ |
|---|---|
| Molecular Weight | 146.12 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.1181 |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 16271-53-7 |
|---|---|
| SMILES | C[N+](C)(C)CCC(=O)OC |
| InChIKey | FHHONAJFFKMUQV-UHFFFAOYSA-N |
Product Overview
β-高甜菜碱甲酯 (CAS 16271-53-7), with molecular formula C7H16NO2+ and molecular weight 146.12 g/mol. IUPAC: (3-methoxy-3-oxopropyl)-trimethylazanium.
Chemical Property Profile of β-高甜菜碱甲酯
Property Insights of β-高甜菜碱甲酯
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for β-高甜菜碱甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, β-高甜菜碱甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, β-高甜菜碱甲酯 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 β-高甜菜碱甲酯?
The CAS number of β-高甜菜碱甲酯 is 16271-53-7.
What is the molecular formula of β-高甜菜碱甲酯?
The molecular formula of β-高甜菜碱甲酯 is C7H16NO2+.
What is the molecular weight of β-高甜菜碱甲酯?
The molecular weight of β-高甜菜碱甲酯 is 146.12 g/mol.
Where can I buy β-高甜菜碱甲酯?
You can request a quote for β-高甜菜碱甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-高甜菜碱甲酯?
Yes, KEHONG BIO provides custom synthesis services for β-高甜菜碱甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.