4-Trimethylammoniobutanoate
TL;DR: 4-Trimethylammoniobutanoate (CAS 10329-41-6) is a chemical compound with molecular formula C7H16NO2+ and molecular weight 146.1181 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-carboxypropyl(trimethyl)azanium
Also Known As: Butyrobetaine, gamma-butyrobetaine, Deoxycarnitine, Actinine, Butyro-betaine
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H16NO2+ |
| Molecular Weight | 146.1181 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.1181 Da |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
| SMILES | C[N+](C)(C)CCCC(=O)O |
| InChIKey | JHPNVNIEXXLNTR-UHFFFAOYSA-O |
Product Description
Applications: 4-Trimethylammoniobutanoate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Trimethylammoniobutanoate (CAS 10329-41-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 4-Trimethylammoniobutanoate (CAS 10329-41-6) has the molecular formula C7H16NO2+ and a molecular weight of 146.12 g/mol. It is also known as Butyrobetaine and gamma-butyrobetaine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Trimethylammoniobutanoate
Property Insights of 4-Trimethylammoniobutanoate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Trimethylammoniobutanoate. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Trimethylammoniobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Trimethylammoniobutanoate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Trimethylammoniobutanoate?
The CAS number of 4-Trimethylammoniobutanoate is 10329-41-6.
What is the molecular formula of 4-Trimethylammoniobutanoate?
The molecular formula of 4-Trimethylammoniobutanoate is C7H16NO2+.
What is the molecular weight of 4-Trimethylammoniobutanoate?
The molecular weight of 4-Trimethylammoniobutanoate is 146.1181 g/mol.
What are the applications of 4-Trimethylammoniobutanoate?
4-Trimethylammoniobutanoate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Trimethylammoniobutanoate...
Where can I buy 4-Trimethylammoniobutanoate?
You can request a quote for 4-Trimethylammoniobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Trimethylammoniobutanoate?
Yes, CoreyChem provides custom synthesis services for 4-Trimethylammoniobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.