Candicine
TL;DR: Candicine (CAS 6656-13-9) is a chemical compound with molecular formula C11H18NO+ and molecular weight 180.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hydroxyphenyl)ethyl-trimethylazanium
Also Known As: Candicine, Candicin, maltoxin, Candicine iodide, 2-(4-hydroxyphenyl)ethyl-trimethylazanium
| Molecular Formula | C11H18NO+ |
|---|---|
| Molecular Weight | 180.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.13884 |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 6656-13-9 |
|---|---|
| SMILES | C[N+](C)(C)CCC1=CC=C(C=C1)O |
| InChIKey | PTOJXIKSKSASRB-UHFFFAOYSA-O |
Product Overview
Candicine (CAS 6656-13-9), with molecular formula C11H18NO+ and molecular weight 180.14 g/mol. IUPAC: 2-(4-hydroxyphenyl)ethyl-trimethylazanium.
Chemical Property Profile of Candicine
Property Insights of Candicine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Candicine. With a topological polar surface area (TPSA) of 20.2 Ų, Candicine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Candicine has 1 hydrogen bond donor(s) and 1 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 Candicine?
The CAS number of Candicine is 6656-13-9.
What is the molecular formula of Candicine?
The molecular formula of Candicine is C11H18NO+.
What is the molecular weight of Candicine?
The molecular weight of Candicine is 180.14 g/mol.
Where can I buy Candicine?
You can request a quote for Candicine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Candicine?
Yes, KEHONG BIO provides custom synthesis services for Candicine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.