Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride
TL;DR: Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride (CAS 109691-07-8) is a chemical compound with molecular formula C20H26ClNO3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(2-phenoxyacetyl)oxy-2-phenylethyl]azanium chloride
Also Known As: Phenoxyacetic acid alpha-((diethylamino)methyl)benzyl ester hydrochloride, ACETIC ACID, PHENOXY-, alpha-((DIETHYLAMINO)METHYL)BENZYL ESTER, HYDROCHLORIDE, diethyl-[2-(2-phenoxyacetyl)oxy-2-phenylethyl]azanium chloride, diethyl-[2-(2-phenoxyacetyl)oxy-2-phenylethyl]azanium;chloride, n,n-diethyl-2-[(phenoxyacetyl)oxy]-2-phenylethanaminium chloride
| Molecular Formula | C20H26ClNO3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | -0.72 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 363.16013 |
| Heavy Atoms | 25 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 109691-07-8 |
|---|---|
| SMILES | CC[NH+](CC)CC(C1=CC=CC=C1)OC(=O)COC2=CC=CC=C2.[Cl-] |
| InChIKey | MWHAVBLZLGSQAC-UHFFFAOYSA-N |
Product Overview
Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride (CAS 109691-07-8), with molecular formula C20H26ClNO3 and molecular weight 363.16 g/mol. IUPAC: diethyl-[2-(2-phenoxyacetyl)oxy-2-phenylethyl]azanium chloride.
Chemical Property Profile of Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride
Property Insights of Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride
The XLogP value of -0.72 indicates that Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride 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 Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride?
The CAS number of Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride is 109691-07-8.
What is the molecular formula of Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride?
The molecular formula of Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride is C20H26ClNO3.
What is the molecular weight of Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride?
The molecular weight of Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride is 363.16 g/mol.
Where can I buy Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride?
You can request a quote for Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, phenoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.