RefChem:339967
TL;DR: RefChem:339967 (CAS 68638-18-6) is a chemical compound with molecular formula C16H27IN2O and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium iodide
Also Known As: Ethanaminium, N,N-diethyl-N-methyl-2-oxo-2-((2,4,6-trimethylphenyl)amino)-, iodide, N,N-Diethyl-N-methyl-2-oxo-2-((2,4,6-trimethylphenyl)amino)ethanaminium iodide, diethyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium iodide
| Molecular Formula | C16H27IN2O |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 0.04 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.11682 |
| Heavy Atoms | 20 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 68638-18-6 |
|---|---|
| SMILES | CC[N+](C)(CC)CC(=O)NC1=C(C=C(C=C1C)C)C.[I-] |
| InChIKey | SMMZZZUXPOJRDP-UHFFFAOYSA-N |
Product Overview
RefChem:339967 (CAS 68638-18-6), with molecular formula C16H27IN2O and molecular weight 390.12 g/mol. IUPAC: diethyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium iodide.
Chemical Property Profile of RefChem:339967
Property Insights of RefChem:339967
The XLogP value of 0.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339967. With a topological polar surface area (TPSA) of 29.1 Ų, RefChem:339967 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:339967 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 RefChem:339967?
The CAS number of RefChem:339967 is 68638-18-6.
What is the molecular formula of RefChem:339967?
The molecular formula of RefChem:339967 is C16H27IN2O.
What is the molecular weight of RefChem:339967?
The molecular weight of RefChem:339967 is 390.12 g/mol.
Where can I buy RefChem:339967?
You can request a quote for RefChem:339967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339967?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.