Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 78266-03-2) is a chemical compound with molecular formula C19H32ClNO2 and molecular weight 341.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(3-methyl-2-phenylhexanoyl)oxyethyl]azanium chloride
Also Known As: C 2003, 2-(Diethylamino)ethyl alpha-phenyl-beta-methylcaproate hydrochloride, 2-(Diethylamino)ethyl 2-phenyl-3-methylcaproate hydrochloride, 2-(Diethylamino)ethyl 2-phenyl-3-methylhexanoate hydrochloride, Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
| Molecular Formula | C19H32ClNO2 |
|---|---|
| Molecular Weight | 341.21 g/mol |
| LogP | -0.32 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 341.21216 |
| Heavy Atoms | 23 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 78266-03-2 |
|---|---|
| SMILES | CCCC(C)C(C1=CC=CC=C1)C(=O)OCC[NH+](CC)CC.[Cl-] |
| InChIKey | SMEIVNGBAHZRLN-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 78266-03-2), with molecular formula C19H32ClNO2 and molecular weight 341.21 g/mol. IUPAC: diethyl-[2-(3-methyl-2-phenylhexanoyl)oxyethyl]azanium chloride.
Chemical Property Profile of Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of -0.32 indicates that Hexanoic acid, 3-methyl-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 30.7 Ų, Hexanoic acid, 3-methyl-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-methyl-2-phenyl-, 2-(diethylamino)ethyl 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 Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride is 78266-03-2.
What is the molecular formula of Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride is C19H32ClNO2.
What is the molecular weight of Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride is 341.21 g/mol.
Where can I buy Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Hexanoic acid, 3-methyl-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-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.