3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate
TL;DR: 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate (CAS 78329-99-4) is a chemical compound with molecular formula C18H29NO3 and molecular weight 307.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(diethylamino)-2,2-dimethylpropyl] 4-ethoxybenzoate
Also Known As: gamma-Diethylamino-beta-dimethylpropyl-4-ethoxybenzoate, 3-(Diethylamino)-2-dimethylpropyl-4-ethoxybenzoate, 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate, 4-Ethoxybenzoic acid 3-(diethylamino)-2-dimethylpropyl ester, [3-(diethylamino)-2,2-dimethylpropyl] 4-ethoxybenzoate
| Molecular Formula | C18H29NO3 |
|---|---|
| Molecular Weight | 307.21 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 307.21475 |
| Heavy Atoms | 22 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 78329-99-4 |
|---|---|
| SMILES | CCN(CC)CC(C)(C)COC(=O)C1=CC=C(C=C1)OCC |
| InChIKey | GFUGJIQXJUTTMP-UHFFFAOYSA-N |
Product Overview
3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate (CAS 78329-99-4), with molecular formula C18H29NO3 and molecular weight 307.21 g/mol. IUPAC: [3-(diethylamino)-2,2-dimethylpropyl] 4-ethoxybenzoate.
Chemical Property Profile of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate
Property Insights of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate
The XLogP value of 4.1 indicates that 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate has 0 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 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate?
The CAS number of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate is 78329-99-4.
What is the molecular formula of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate?
The molecular formula of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate is C18H29NO3.
What is the molecular weight of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate?
The molecular weight of 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate is 307.21 g/mol.
Where can I buy 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate?
You can request a quote for 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)-2,2-dimethylpropyl 4-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.