Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 101779-22-0) is a chemical compound with molecular formula C18H30ClNO3 and molecular weight 343.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(3-hydroxy-2-phenylhexanoyl)oxyethyl]azanium chloride
Also Known As: 3-Hydroxy-2-phenylhexanoic acid 2-(diethylamino)ethyl ester hydrochloride, HEXANOIC ACID, 3-HYDROXY-2-PHENYL-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, diethyl-[2-(3-hydroxy-2-phenylhexanoyl)oxyethyl]azanium chloride, n,n-diethyl-2-[(3-hydroxy-2-phenylhexanoyl)oxy]ethanaminiumchloride, RefChem:1086613
| Molecular Formula | C18H30ClNO3 |
|---|---|
| Molecular Weight | 343.19 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 343.1914 |
| Heavy Atoms | 23 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 101779-22-0 |
|---|---|
| SMILES | CCCC(C(C1=CC=CC=C1)C(=O)OCC[NH+](CC)CC)O.[Cl-] |
| InChIKey | CCRBWXOLUNYBOP-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 101779-22-0), with molecular formula C18H30ClNO3 and molecular weight 343.19 g/mol. IUPAC: diethyl-[2-(3-hydroxy-2-phenylhexanoyl)oxyethyl]azanium chloride.
Chemical Property Profile of Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of -1.6 indicates that Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.0 Ų, Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride has 2 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 Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride is 101779-22-0.
What is the molecular formula of Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride is C18H30ClNO3.
What is the molecular weight of Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride is 343.19 g/mol.
Where can I buy Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 3-hydroxy-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.