(2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride
TL;DR: (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride (CAS 57757-50-3) is a chemical compound with molecular formula C27H46ClNO2 and molecular weight 451.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride
Also Known As: (3-Benzyl-2-butenyl)(decyloxycarbonylmethyl)diethylammonium chloride, Ammonium, (3-benzyl-2-butenyl)(decyloxycarbonylmethyl)diethyl-, chloride, 2-Buten-1-aminium, N-[2-(decyloxy)-2-oxoethyl]-N,N-diethyl-3-methyl-4-phenyl-, chloride, AMMONIUM, (3-BENZYL-2-BUTENYL)(CARBOXYMETHYL)DIETHYL-, CHLORIDE, DECYL ESTER, DECOXYCARBONYLMETHYL-DIETHYL-[(Z)-3-METHYL-4-PHENYL-BUT-2-ENYL]AZANIUM CHLORIDE
| Molecular Formula | C27H46ClNO2 |
|---|---|
| Molecular Weight | 451.32 g/mol |
| LogP | 3.72 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 451.32172 |
| Heavy Atoms | 31 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 57757-50-3 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C[N+](CC)(CC)CC=C(C)CC1=CC=CC=C1.[Cl-] |
| InChIKey | YRXMIJCZFQUZRO-UHFFFAOYSA-M |
Product Overview
(2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride (CAS 57757-50-3), with molecular formula C27H46ClNO2 and molecular weight 451.32 g/mol. IUPAC: (2-decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride.
Chemical Property Profile of (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride
Property Insights of (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride
The XLogP value of 3.72 indicates that (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride has 0 hydrogen bond donor(s) and 3 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 (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride?
The CAS number of (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride is 57757-50-3.
What is the molecular formula of (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride?
The molecular formula of (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride is C27H46ClNO2.
What is the molecular weight of (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride?
The molecular weight of (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride is 451.32 g/mol.
Where can I buy (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride?
You can request a quote for (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride?
Yes, KEHONG BIO provides custom synthesis services for (2-Decoxy-2-oxoethyl)-diethyl-(3-methyl-4-phenylbut-2-enyl)azanium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.