Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester
TL;DR: Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester (CAS 78329-89-2) is a chemical compound with molecular formula C28H50N2O3 and molecular weight 462.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dibutylamino)ethyl 4-[2-(dibutylamino)ethoxymethyl]benzoate
Also Known As: 3-10-00-00529 (Beilstein Handbook Reference), 2-Dibutylaminoethyl p-((2-dibutylaminoethoxy)methyl)benzoate, BENZOIC ACID, p-((2-DIBUTYLAMINOETHOXY)METHYL)-, 2-(DIBUTYLAMINO)ETHYL ESTER, p-((2-Dibutylaminoethoxy)methyl)benzoic acid 2-dibutylaminoethyl ester, 2-(dibutylamino)ethyl 4-{[2-(dibutylamino)ethoxy]methyl}benzoate
| Molecular Formula | C28H50N2O3 |
|---|---|
| Molecular Weight | 462.38 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 22 |
| Exact Mass | 462.38214 |
| Heavy Atoms | 33 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 78329-89-2 |
|---|---|
| SMILES | CCCCN(CCCC)CCOCC1=CC=C(C=C1)C(=O)OCCN(CCCC)CCCC |
| InChIKey | HQYBEQMNAAXLAR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester (CAS 78329-89-2), with molecular formula C28H50N2O3 and molecular weight 462.38 g/mol. IUPAC: 2-(dibutylamino)ethyl 4-[2-(dibutylamino)ethoxymethyl]benzoate.
Chemical Property Profile of Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester
Property Insights of Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester
The XLogP value of 6.5 indicates that Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl 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-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl 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-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester?
The CAS number of Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester is 78329-89-2.
What is the molecular formula of Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester?
The molecular formula of Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester is C28H50N2O3.
What is the molecular weight of Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester?
The molecular weight of Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester is 462.38 g/mol.
Where can I buy Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester?
You can request a quote for Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)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-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-((2-dibutylaminoethoxy)methyl)-, 2-(dibutylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.