Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester
TL;DR: Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester (CAS 78329-98-3) is a chemical compound with molecular formula C17H27NO3 and molecular weight 293.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-(diethylamino)propoxymethyl]benzoate
Also Known As: ETHYL4- BENZOATE, ethyl 4-[3-(diethylamino)propoxymethyl]benzoate, BENZOIC ACID, p-(2-(DIETHYLAMINO)PROPOXY)METHYL-, ETHYL ESTER, Ethyl p-((2-diethylaminopropoxy)methyl)benzoate, p-((2-Diethylaminopropoxy)methyl)benzoic acid ethyl ester
| Molecular Formula | C17H27NO3 |
|---|---|
| Molecular Weight | 293.20 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 293.1991 |
| Heavy Atoms | 21 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 78329-98-3 |
|---|---|
| SMILES | CCN(CC)CCCOCC1=CC=C(C=C1)C(=O)OCC |
| InChIKey | CDOVVMBHKJTQGY-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester (CAS 78329-98-3), with molecular formula C17H27NO3 and molecular weight 293.20 g/mol. IUPAC: ethyl 4-[3-(diethylamino)propoxymethyl]benzoate.
Chemical Property Profile of Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester
Property Insights of Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester. With a topological polar surface area (TPSA) of 38.8 Ų, Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl 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, p-(2-(diethylamino)propoxy)methyl-, ethyl ester?
The CAS number of Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester is 78329-98-3.
What is the molecular formula of Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester?
The molecular formula of Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester is C17H27NO3.
What is the molecular weight of Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester?
The molecular weight of Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester is 293.20 g/mol.
Where can I buy Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester?
You can request a quote for Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl 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, p-(2-(diethylamino)propoxy)methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(2-(diethylamino)propoxy)methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.