Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester
TL;DR: Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester (CAS 78330-00-4) is a chemical compound with molecular formula C16H25NO3 and molecular weight 279.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylamino)propyl 4-ethoxybenzoate
Also Known As: 3-(diethylamino)propyl 4-ethoxybenzoate, 3-(Diethylamino)propyl-4-ethoxybenzoate, 4-Ethoxybenzoic acid 3-(diethylamino)propyl ester, gamma-(Diethylamino)propyl 4-ethoxybenzoate, 3-(Diethylamino)propyl=4-ethoxybenzoate
| Molecular Formula | C16H25NO3 |
|---|---|
| Molecular Weight | 279.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 279.18344 |
| Heavy Atoms | 20 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 78330-00-4 |
|---|---|
| SMILES | CCN(CC)CCCOC(=O)C1=CC=C(C=C1)OCC |
| InChIKey | PERHZJYCAWAXHS-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester (CAS 78330-00-4), with molecular formula C16H25NO3 and molecular weight 279.18 g/mol. IUPAC: 3-(diethylamino)propyl 4-ethoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester
Property Insights of Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester
The XLogP value of 3.2 indicates that Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester 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 Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester?
The CAS number of Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester is 78330-00-4.
What is the molecular formula of Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester?
The molecular formula of Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester is C16H25NO3.
What is the molecular weight of Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester?
The molecular weight of Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester is 279.18 g/mol.
Where can I buy Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester?
You can request a quote for Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.