Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride
TL;DR: Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride (CAS 53464-72-5) is a chemical compound with molecular formula C22H38ClNO5 and molecular weight 431.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[8-(3,4,5-trimethoxybenzoyl)oxyoctyl]azanium chloride
Also Known As: TMB-8 HCl, Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride, 3,4,5-Trimethoxybenzoic acid, 8-(diethylamino)octyl ester, hydrochloride, diethyl-[8-(3,4,5-trimethoxybenzoyl)oxyoctyl]azanium;chloride, 3,4,5,-Trimethoxybenzoic acid 8-(diethylamino)octyl ester hydrochloride
| Molecular Formula | C22H38ClNO5 |
|---|---|
| Molecular Weight | 431.24 g/mol |
| LogP | 0.1385 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 431.24387 |
| Heavy Atoms | 29 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 53464-72-5 |
|---|---|
| SMILES | CC[NH+](CC)CCCCCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.[Cl-] |
| InChIKey | KFJZVXKPPQIYCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride (CAS 53464-72-5), with molecular formula C22H38ClNO5 and molecular weight 431.24 g/mol. IUPAC: diethyl-[8-(3,4,5-trimethoxybenzoyl)oxyoctyl]azanium chloride.
Chemical Property Profile of Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride
Property Insights of Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride
The XLogP value of 0.1385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride. With a topological polar surface area (TPSA) of 58.4 Ų, Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride 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 Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride?
The CAS number of Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride is 53464-72-5.
What is the molecular formula of Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride?
The molecular formula of Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride is C22H38ClNO5.
What is the molecular weight of Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride?
The molecular weight of Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride is 431.24 g/mol.
Where can I buy Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride?
You can request a quote for Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(8-(3,4,5-trimethoxybenzoyloxy)octyl)ammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.