Tridihexethyl Iodide
TL;DR: Tridihexethyl Iodide (CAS 125-99-5) is a chemical compound with molecular formula C21H36INO and molecular weight 445.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium iodide
Also Known As: Tridihexethyl iodide, Tridihexethide, Tridihexide, Claviton, Trihexethyl iodide
| Molecular Formula | C21H36INO |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 1.73 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.18417 |
| Heavy Atoms | 24 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 125-99-5 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O.[I-] |
| InChIKey | VFEDLMLHAGASHB-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tridihexethyl Iodide (CAS 125-99-5), with molecular formula C21H36INO and molecular weight 445.18 g/mol. IUPAC: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium iodide.
Chemical Property Profile of Tridihexethyl Iodide
Property Insights of Tridihexethyl Iodide
The XLogP value of 1.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tridihexethyl Iodide. With a topological polar surface area (TPSA) of 20.2 Ų, Tridihexethyl Iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tridihexethyl Iodide 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
Frequently Asked Questions
What is the CAS number of Tridihexethyl Iodide?
The CAS number of Tridihexethyl Iodide is 125-99-5.
What is the molecular formula of Tridihexethyl Iodide?
The molecular formula of Tridihexethyl Iodide is C21H36INO.
What is the molecular weight of Tridihexethyl Iodide?
The molecular weight of Tridihexethyl Iodide is 445.18 g/mol.
Where can I buy Tridihexethyl Iodide?
You can request a quote for Tridihexethyl Iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tridihexethyl Iodide?
Yes, KEHONG BIO provides custom synthesis services for Tridihexethyl Iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.