2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
TL;DR: 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) (CAS 102701-04-2) is a chemical compound with molecular formula C22H30ClNO5 and molecular weight 423.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-phenyl-2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride
Also Known As: 3,4,5-Trimethoxybenzoic acid alpha-((diethylamino)methyl)benzyl ester hydrochloride, diethyl-[2-phenyl-2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride, Benzoic acid, 3,4,5-trimethoxy-, alpha-((diethylamino)methyl)benzyl ester, hydrochloride, diethyl-[2-phenyl-2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium, n,n-diethyl-2-phenyl-2-[(3,4,5-trimethoxybenzoyl)oxy]ethanaminium chloride
| Molecular Formula | C22H30ClNO5 |
|---|---|
| Molecular Weight | 423.18 g/mol |
| LogP | -0.46 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 423.18124 |
| Heavy Atoms | 29 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 102701-04-2 |
|---|---|
| SMILES | CC[NH+](CC)CC(C1=CC=CC=C1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Cl-] |
| InChIKey | RFIWQQUEPTVWFP-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) (CAS 102701-04-2), with molecular formula C22H30ClNO5 and molecular weight 423.18 g/mol. IUPAC: diethyl-[2-phenyl-2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium chloride.
Chemical Property Profile of 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Property Insights of 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
The XLogP value of -0.46 indicates that 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 6 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-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is 102701-04-2.
What is the molecular formula of 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is C22H30ClNO5.
What is the molecular weight of 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) is 423.18 g/mol.
Where can I buy 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)-1-phenylethyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.