Coryneine
TL;DR: Coryneine (CAS 93138-43-3) is a chemical compound with molecular formula C11H18NO2+ and molecular weight 196.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)ethyl-trimethylazanium
Also Known As: Coryneine, Dopamine methiodide, Quaternary dopamine, 2-(3,4-dihydroxyphenyl)ethyl-trimethylazanium, 3,4-Dihydroxyphenethyltrimethylammonium
| Molecular Formula | C11H18NO2+ |
|---|---|
| Molecular Weight | 196.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.13376 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 93138-43-3 |
|---|---|
| SMILES | C[N+](C)(C)CCC1=CC(=C(C=C1)O)O |
| InChIKey | VDTBORSEFUUDTP-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Coryneine (CAS 93138-43-3), with molecular formula C11H18NO2+ and molecular weight 196.13 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)ethyl-trimethylazanium.
Chemical Property Profile of Coryneine
Property Insights of Coryneine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coryneine. With a topological polar surface area (TPSA) of 40.5 Ų, Coryneine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coryneine has 2 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 Coryneine?
The CAS number of Coryneine is 93138-43-3.
What is the molecular formula of Coryneine?
The molecular formula of Coryneine is C11H18NO2+.
What is the molecular weight of Coryneine?
The molecular weight of Coryneine is 196.13 g/mol.
Where can I buy Coryneine?
You can request a quote for Coryneine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coryneine?
Yes, KEHONG BIO provides custom synthesis services for Coryneine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.