Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride
TL;DR: Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride (CAS 5369-06-2) is a chemical compound with molecular formula C17H27ClN2O and molecular weight 310.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-prop-2-enylazanium chloride
Also Known As: Allyldiethyl((2,6-xylylcarbamoyl)methyl)ammonium chloride, AMMONIUM, ALLYLDIETHYL((2,6-XYLYLCARBAMOYL)METHYL)-, CHLORIDE, [2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-prop-2-enylazanium chloride, RefChem:319157
| Molecular Formula | C17H27ClN2O |
|---|---|
| Molecular Weight | 310.18 g/mol |
| LogP | 0.29 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.18118 |
| Heavy Atoms | 21 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 5369-06-2 |
|---|---|
| SMILES | CC[N+](CC)(CC=C)CC(=O)NC1=C(C=CC=C1C)C.[Cl-] |
| InChIKey | LCEBZNSOOSMNDL-UHFFFAOYSA-N |
Product Overview
Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride (CAS 5369-06-2), with molecular formula C17H27ClN2O and molecular weight 310.18 g/mol. IUPAC: [2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-prop-2-enylazanium chloride.
Chemical Property Profile of Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride
Property Insights of Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride
The XLogP value of 0.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride. With a topological polar surface area (TPSA) of 29.1 Ų, Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride 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 Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride?
The CAS number of Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride is 5369-06-2.
What is the molecular formula of Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride?
The molecular formula of Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride is C17H27ClN2O.
What is the molecular weight of Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride?
The molecular weight of Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride is 310.18 g/mol.
Where can I buy Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride?
You can request a quote for Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, allyldiethyl((2,6-xylylcarbamoyl)methyl)-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.