Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride
TL;DR: Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride (CAS 14188-03-5) is a chemical compound with molecular formula C20H26ClNO2 and molecular weight 347.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-[2-(2-phenylethyl)benzoyl]oxypropyl]azanium chloride
Also Known As: o-Phenethylbenzoic acid 3-(dimethylamino)propyl ester hydrochloride, (3-Dimethylaminopropyl)-2-(2-phenylethyl)benzoate hydrochloride, BENZOIC ACID, o-PHENETHYL-, 3-(DIMETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE, dimethyl-[3-(2-phenethylbenzoyl)oxypropyl]azanium chloride, RefChem:1079227
| Molecular Formula | C20H26ClNO2 |
|---|---|
| Molecular Weight | 347.17 g/mol |
| LogP | -0.83 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 347.1652 |
| Heavy Atoms | 24 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 14188-03-5 |
|---|---|
| SMILES | C[NH+](C)CCCOC(=O)C1=CC=CC=C1CCC2=CC=CC=C2.[Cl-] |
| InChIKey | VOOYCDZIQJWEBW-UHFFFAOYSA-N |
Product Overview
Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride (CAS 14188-03-5), with molecular formula C20H26ClNO2 and molecular weight 347.17 g/mol. IUPAC: dimethyl-[3-[2-(2-phenylethyl)benzoyl]oxypropyl]azanium chloride.
Chemical Property Profile of Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride
Property Insights of Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride
The XLogP value of -0.83 indicates that Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride has 1 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 Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride?
The CAS number of Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride is 14188-03-5.
What is the molecular formula of Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride?
The molecular formula of Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride is C20H26ClNO2.
What is the molecular weight of Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride?
The molecular weight of Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride is 347.17 g/mol.
Where can I buy Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride?
You can request a quote for Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, o-phenethyl-, 3-(dimethylamino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.