RefChem:351477
TL;DR: RefChem:351477 (CAS 97354-58-0) is a chemical compound with molecular formula C27H50Cl2N4O3 and molecular weight 548.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3-[[[2-(diethylazaniumyl)acetyl]amino]methyl]-4-octoxyanilino]-2-oxoethyl]-diethylazanium dichloride
Also Known As: m-Acetotoluidide, 2-(diethylamino)-alpha-(2-(diethylamino)acetamido)-4'-(octyloxy)-, dihydrochloride, 1-(4-Diethylaminoacetamido-2-diethylaminoacetamidomethylphenoxy)-n-octane dihydrochloride, 2-(Diethylamino)-alpha-(2-(diethylamino)acetamido)-4'-(octyloxy)-m-acetotoluidide 2HCl, [2-[3-[[[2-(diethylazaniumyl)acetyl]amino]methyl]-4-octoxyanilino]-2-oxoethyl]-diethylazanium;dichloride, m-ACETOTOLUIDIDE, 2-(DIETHYLAMINO)-alpha-(2-(DIETHYLAMINO)ACETAMIDO)-4'-(OCTYLOX
| Molecular Formula | C27H50Cl2N4O3 |
|---|---|
| Molecular Weight | 548.33 g/mol |
| LogP | -4.16 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 548.326 |
| Heavy Atoms | 36 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 97354-58-0 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)NC(=O)C[NH+](CC)CC)CNC(=O)C[NH+](CC)CC.[Cl-].[Cl-] |
| InChIKey | XKZDMWWPGJFJLA-UHFFFAOYSA-N |
Product Overview
RefChem:351477 (CAS 97354-58-0), with molecular formula C27H50Cl2N4O3 and molecular weight 548.33 g/mol. IUPAC: [2-[3-[[[2-(diethylazaniumyl)acetyl]amino]methyl]-4-octoxyanilino]-2-oxoethyl]-diethylazanium dichloride.
Chemical Property Profile of RefChem:351477
Property Insights of RefChem:351477
The XLogP value of -4.16 indicates that RefChem:351477 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:351477. Following Lipinski's Rule of Five, RefChem:351477 has 4 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:351477?
The CAS number of RefChem:351477 is 97354-58-0.
What is the molecular formula of RefChem:351477?
The molecular formula of RefChem:351477 is C27H50Cl2N4O3.
What is the molecular weight of RefChem:351477?
The molecular weight of RefChem:351477 is 548.33 g/mol.
Where can I buy RefChem:351477?
You can request a quote for RefChem:351477 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:351477?
Yes, KEHONG BIO provides custom synthesis services for RefChem:351477 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.