RefChem:1060565
TL;DR: RefChem:1060565 (CAS 3486-39-3) is a chemical compound with molecular formula C21H34INO3 and molecular weight 475.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium iodide
Also Known As: NIOSH/BP7651400, (-)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneglycolate, Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneglycolate, (-)-, 2-(2-Cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazaniumiodide, (+-)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneglycolate
| Molecular Formula | C21H34INO3 |
|---|---|
| Molecular Weight | 475.16 g/mol |
| LogP | 0.49 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.15833 |
| Heavy Atoms | 26 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 3486-39-3 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.[I-] |
| InChIKey | VEBLNCKGXHQPRK-UHFFFAOYSA-M |
Product Overview
RefChem:1060565 (CAS 3486-39-3), with molecular formula C21H34INO3 and molecular weight 475.16 g/mol. IUPAC: 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium iodide.
Chemical Property Profile of RefChem:1060565
Property Insights of RefChem:1060565
The XLogP value of 0.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1060565. With a topological polar surface area (TPSA) of 46.5 Ų, RefChem:1060565 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1060565 has 1 hydrogen bond donor(s) and 4 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 RefChem:1060565?
The CAS number of RefChem:1060565 is 3486-39-3.
What is the molecular formula of RefChem:1060565?
The molecular formula of RefChem:1060565 is C21H34INO3.
What is the molecular weight of RefChem:1060565?
The molecular weight of RefChem:1060565 is 475.16 g/mol.
Where can I buy RefChem:1060565?
You can request a quote for RefChem:1060565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1060565?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1060565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.