RefChem:327409
TL;DR: RefChem:327409 (CAS 51444-52-1) is a chemical compound with molecular formula C28H41ClN2O4 and molecular weight 504.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium chloride
Also Known As: Benzoic acid, 4-(2-(octyloxy)benzamido)-, 2-(diethylamino)ethyl ester hydrochloride, 2-(Diethylamino)ethyl 4-(2-(octyloxy)benzamido)benzoate hydrochloride, diethyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium;chloride, Procaine Related CoMpound HCl (Diethyl (2-Hydroxyethyl)-AMino-p-[o-(Octyloxy)benzaMido]benzoate hydrochloride), diethyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium chloride
| Molecular Formula | C28H41ClN2O4 |
|---|---|
| Molecular Weight | 504.28 g/mol |
| LogP | 1.76 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 504.27548 |
| Heavy Atoms | 35 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 51444-52-1 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OCC[NH+](CC)CC.[Cl-] |
| InChIKey | DOABTEMOZNFDOP-UHFFFAOYSA-N |
Product Overview
RefChem:327409 (CAS 51444-52-1), with molecular formula C28H41ClN2O4 and molecular weight 504.28 g/mol. IUPAC: diethyl-[2-[4-[(2-octoxybenzoyl)amino]benzoyl]oxyethyl]azanium chloride.
Chemical Property Profile of RefChem:327409
Property Insights of RefChem:327409
The XLogP value of 1.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327409. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327409. Following Lipinski's Rule of Five, RefChem:327409 has 2 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 RefChem:327409?
The CAS number of RefChem:327409 is 51444-52-1.
What is the molecular formula of RefChem:327409?
The molecular formula of RefChem:327409 is C28H41ClN2O4.
What is the molecular weight of RefChem:327409?
The molecular weight of RefChem:327409 is 504.28 g/mol.
Where can I buy RefChem:327409?
You can request a quote for RefChem:327409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327409?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.