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Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride
TL;DR: Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride (CAS 3620-54-0) 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-[3-(2-phenylhexanoyloxy)propyl]azanium chloride
Also Known As: 3-(Diethylamino)propyl 2-phenylhexanoate hydrochloride, alpha-Phenyl-caproate du diethylamino-propanolchlorhydrate, diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride, HEXANOIC ACID, 2-PHENYL-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE, Propanol, 3-(diethylamino)-, 2-phenylhexanoate, hydrochloride
| Molecular Formula | C19H32ClNO2 |
|---|---|
| Molecular Weight | 341.21 g/mol |
| LogP | -0.18 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 341.21216 |
| Heavy Atoms | 23 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 3620-54-0 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)C(=O)OCCC[NH+](CC)CC.[Cl-] |
| InChIKey | DBNPXCOZOJRRIZ-UHFFFAOYSA-N |
Product Overview
Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride (CAS 3620-54-0), with molecular formula C19H32ClNO2 and molecular weight 341.21 g/mol. IUPAC: diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride.
Chemical Property Profile of Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride
Property Insights of Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride
The XLogP value of -0.18 indicates that Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride 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, Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride 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 Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride?
The CAS number of Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride is 3620-54-0.
What is the molecular formula of Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride?
The molecular formula of Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride is C19H32ClNO2.
What is the molecular weight of Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride?
The molecular weight of Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride is 341.21 g/mol.
Where can I buy Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride?
You can request a quote for Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-[3-(2-phenylhexanoyloxy)propyl]azanium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.