gamma-Butyrobetaine ethyl ester
TL;DR: gamma-Butyrobetaine ethyl ester (CAS 16630-27-6) is a chemical compound with molecular formula C9H20NO2+ and molecular weight 174.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxy-4-oxobutyl)-trimethylazanium
Also Known As: Gbb-EE, gamma-Butyrobetaine ethyl ester, Ethyl N-trimethyl-gamma-aminobutyrate, (4-ethoxy-4-oxobutyl)trimethylazanium, 1-Butanaminium, 4-ethoxy-N,N,N-trimethyl-4-oxo-
| Molecular Formula | C9H20NO2+ |
|---|---|
| Molecular Weight | 174.15 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.1494 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 16630-27-6 |
|---|---|
| SMILES | CCOC(=O)CCC[N+](C)(C)C |
| InChIKey | NFQSXHRKWCFVHZ-UHFFFAOYSA-N |
Product Overview
gamma-Butyrobetaine ethyl ester (CAS 16630-27-6), with molecular formula C9H20NO2+ and molecular weight 174.15 g/mol. IUPAC: (4-ethoxy-4-oxobutyl)-trimethylazanium.
Chemical Property Profile of gamma-Butyrobetaine ethyl ester
Property Insights of gamma-Butyrobetaine ethyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for gamma-Butyrobetaine ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, gamma-Butyrobetaine ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, gamma-Butyrobetaine ethyl ester 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 gamma-Butyrobetaine ethyl ester?
The CAS number of gamma-Butyrobetaine ethyl ester is 16630-27-6.
What is the molecular formula of gamma-Butyrobetaine ethyl ester?
The molecular formula of gamma-Butyrobetaine ethyl ester is C9H20NO2+.
What is the molecular weight of gamma-Butyrobetaine ethyl ester?
The molecular weight of gamma-Butyrobetaine ethyl ester is 174.15 g/mol.
Where can I buy gamma-Butyrobetaine ethyl ester?
You can request a quote for gamma-Butyrobetaine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for gamma-Butyrobetaine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for gamma-Butyrobetaine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.