Betacain
TL;DR: Betacain (CAS 500-34-5) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2,6-trimethylpiperidin-4-yl) benzoate
Also Known As: Betacain, Eucaine, Eucaine B, BETA-EUCAINE, Eucain B
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 500-34-5 |
|---|---|
| SMILES | CC1CC(CC(N1)(C)C)OC(=O)C2=CC=CC=C2 |
| InChIKey | ZYHGIAPHLSTGMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Betacain (CAS 500-34-5), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: (2,2,6-trimethylpiperidin-4-yl) benzoate.
Chemical Property Profile of Betacain
Property Insights of Betacain
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Betacain. With a topological polar surface area (TPSA) of 38.3 Ų, Betacain exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Betacain has 1 hydrogen bond donor(s) and 3 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 Betacain?
The CAS number of Betacain is 500-34-5.
What is the molecular formula of Betacain?
The molecular formula of Betacain is C15H21NO2.
What is the molecular weight of Betacain?
The molecular weight of Betacain is 247.16 g/mol.
Where can I buy Betacain?
You can request a quote for Betacain directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betacain?
Yes, KEHONG BIO provides custom synthesis services for Betacain and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.