beta-Alanine betaine
TL;DR: beta-Alanine betaine (CAS 6458-06-6) is a chemical compound with molecular formula C6H13NO2 and molecular weight 131.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trimethylazaniumyl)propanoate
Also Known As: Beta-alanine betaine, Propiobetaine, beta-Homobetaine, Trimethylalanine, beta-Alaninebetaine
| Molecular Formula | C6H13NO2 |
|---|---|
| Molecular Weight | 131.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.09464 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 6458-06-6 |
|---|---|
| SMILES | C[N+](C)(C)CCC(=O)[O-] |
| InChIKey | ACZVSMNFVFBOTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Alanine betaine (CAS 6458-06-6), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: 3-(trimethylazaniumyl)propanoate.
Chemical Property Profile of beta-Alanine betaine
Property Insights of beta-Alanine betaine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine betaine. With a topological polar surface area (TPSA) of 40.1 Ų, beta-Alanine betaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine betaine 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 beta-Alanine betaine?
The CAS number of beta-Alanine betaine is 6458-06-6.
What is the molecular formula of beta-Alanine betaine?
The molecular formula of beta-Alanine betaine is C6H13NO2.
What is the molecular weight of beta-Alanine betaine?
The molecular weight of beta-Alanine betaine is 131.09 g/mol.
Where can I buy beta-Alanine betaine?
You can request a quote for beta-Alanine betaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine betaine?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine betaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.