8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate
TL;DR: 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate (CAS 57818-92-5) is a chemical compound with molecular formula C22H37NO5 and molecular weight 395.26718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(diethylamino)octyl 3,4,5-trimethoxybenzoate
Also Known As: TMB-8 hydrochloride, TMB 8, 8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate, TMB8, Lopac0_000022
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C22H37NO5 |
| Molecular Weight | 395.26718 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 395.26718 Da |
| Heavy Atoms | 28 |
| Complexity | 388.0 |
| SMILES | CCN(CC)CCCCCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | IBQMHBGFMLHHLE-UHFFFAOYSA-N |
Chemical Property Profile of 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate
Property Insights of 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate
The XLogP value of 5.0 indicates that 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate?
The CAS number of 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate is 57818-92-5.
What is the molecular formula of 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate?
The molecular formula of 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate is C22H37NO5.
What is the molecular weight of 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate?
The molecular weight of 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate is 395.26718 g/mol.
Where can I buy 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate?
You can request a quote for 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate?
Yes, CoreyChem provides custom synthesis services for 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.