Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian]
TL;DR: Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian] (CAS 17093-04-8) is a chemical compound with molecular formula C26H42N2O2 and molecular weight 414.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[[2-(diethylamino)ethyl-ethylamino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate
Also Known As: Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian], 2-Bornanol, 3-(((2-(diethylamino)ethyl)ethylamino)methyl)-, benzoate (ester), Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo, Bicyclo(2.2.1)heptan-2-ol, 3-(((2-(diethylamino)ethyl)ethylamino)methyl)-1,7,7-trimethyl-, benzoate (ester), [2-[[2-diethylaminoethyl(ethyl)amino]methyl]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] benzoate
| Molecular Formula | C26H42N2O2 |
|---|---|
| Molecular Weight | 414.32 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 414.32462 |
| Heavy Atoms | 30 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 17093-04-8 |
|---|---|
| SMILES | CCN(CC)CCN(CC)CC1C2CCC(C1OC(=O)C3=CC=CC=C3)(C2(C)C)C |
| InChIKey | ZOYFVXGOEXFNQT-UHFFFAOYSA-N |
Product Overview
Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian] (CAS 17093-04-8), with molecular formula C26H42N2O2 and molecular weight 414.32 g/mol. IUPAC: [3-[[2-(diethylamino)ethyl-ethylamino]methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate.
Chemical Property Profile of Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian]
Property Insights of Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian]
The XLogP value of 5.8 indicates that Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian] has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian]?
The CAS number of Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian] is 17093-04-8.
What is the molecular formula of Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian]?
The molecular formula of Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian] is C26H42N2O2.
What is the molecular weight of Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian]?
The molecular weight of Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian] is 414.32 g/mol.
Where can I buy Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian]?
You can request a quote for Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian]?
Yes, KEHONG BIO provides custom synthesis services for Benzoato di N-etil-N-(beta-dietilaminoetil)-3-aminometil-2-bornanolo [Italian] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.