Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester
TL;DR: Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester (CAS 78329-93-8) is a chemical compound with molecular formula C25H44N2O3 and molecular weight 420.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dibutylamino)propyl 4-[2-(diethylamino)ethoxymethyl]benzoate
Also Known As: 3-(Dibutylamino)propyl p-((2-diethylaminoethoxy)methyl)benzoate, BENZOIC ACID, p-((2-DIETHYLAMINOETHOXY)METHYL)-, 3-(DIBUTYLAMINO)PROPYL ESTER, p-((2-Diethylaminoethoxy)methyl)benzoic acid 3-(dibutylamino)propyl ester, 3-(dibutylamino)propyl 4-{[2-(diethylamino)ethoxy]methyl}benzoate, 3-(dibutylamino)propyl 4-(2-diethylaminoethyloxymethyl)benzoate
| Molecular Formula | C25H44N2O3 |
|---|---|
| Molecular Weight | 420.34 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 420.3352 |
| Heavy Atoms | 30 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 78329-93-8 |
|---|---|
| SMILES | CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)COCCN(CC)CC |
| InChIKey | ONNHJLYIPVEWMV-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester (CAS 78329-93-8), with molecular formula C25H44N2O3 and molecular weight 420.34 g/mol. IUPAC: 3-(dibutylamino)propyl 4-[2-(diethylamino)ethoxymethyl]benzoate.
Chemical Property Profile of Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester
Property Insights of Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester
The XLogP value of 5.1 indicates that Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester?
The CAS number of Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester is 78329-93-8.
What is the molecular formula of Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester?
The molecular formula of Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester is C25H44N2O3.
What is the molecular weight of Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester?
The molecular weight of Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester is 420.34 g/mol.
Where can I buy Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester?
You can request a quote for Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)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, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-((2-diethylaminoethoxy)methyl)-, 3-(dibutylamino)propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.