2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate
TL;DR: 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate (CAS 26090-29-9) is a chemical compound with molecular formula C28H40N2O4 and molecular weight 468.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[(2-octoxybenzoyl)amino]benzoate
Also Known As: 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate, Procaine Impurity 1, Otilonium Bromide ITS-1, N-Diethylaminoethyl-p-[2-(-n-octyloxy)-benzoyl]aminobenzoate, Otilonium Bromide Impurity 1
| Molecular Formula | C28H40N2O4 |
|---|---|
| Molecular Weight | 468.30 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 468.2988 |
| Heavy Atoms | 34 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 26090-29-9 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCCN(CC)CC |
| InChIKey | QOTIDDHANGFPGH-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate (CAS 26090-29-9), with molecular formula C28H40N2O4 and molecular weight 468.30 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[(2-octoxybenzoyl)amino]benzoate.
Chemical Property Profile of 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate
Property Insights of 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate
The XLogP value of 6.8 indicates that 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate has 1 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 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate?
The CAS number of 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate is 26090-29-9.
What is the molecular formula of 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate?
The molecular formula of 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate is C28H40N2O4.
What is the molecular weight of 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate?
The molecular weight of 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate is 468.30 g/mol.
Where can I buy 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate?
You can request a quote for 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.