RefChem:322201
TL;DR: RefChem:322201 (CAS 104816-33-3) is a chemical compound with molecular formula C19H29N3O6 and molecular weight 395.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[[4-(2-methylpropanoylamino)benzoyl]amino]ethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: Benzamide, N-(2-(diethylamino)ethyl)-4-((2-methyl-1-oxopropyl)amino)-, ethanedioate (1:1), N-(2-(Diethylamino)ethyl)-4-((2-methyl-1-oxopropyl)amino)benzamide ethanedioate (1:1), diethyl-[2-[[4-(2-methylpropanoylamino)benzoyl]amino]ethyl]azanium;2-hydroxy-2-oxoacetate, Benzamide,N-(2-(diethylamino)ethyl)-4-((2-methyl-1-oxopropyl)amino)-,ethanedioate(1:1), diethyl-[2-[[4-(2-methylpropanoylamino)benzoyl]amino]ethyl]azanium; 2-hydroxy-2-oxoacetate
| Molecular Formula | C19H29N3O6 |
|---|---|
| Molecular Weight | 395.21 g/mol |
| LogP | -1.24 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.20563 |
| Heavy Atoms | 28 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 104816-33-3 |
|---|---|
| SMILES | CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C(C)C.C(=O)(C(=O)[O-])O |
| InChIKey | KARGUIKJUNBKTI-UHFFFAOYSA-N |
Product Overview
RefChem:322201 (CAS 104816-33-3), with molecular formula C19H29N3O6 and molecular weight 395.21 g/mol. IUPAC: diethyl-[2-[[4-(2-methylpropanoylamino)benzoyl]amino]ethyl]azanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:322201
Property Insights of RefChem:322201
The XLogP value of -1.24 indicates that RefChem:322201 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:322201 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:322201 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:322201?
The CAS number of RefChem:322201 is 104816-33-3.
What is the molecular formula of RefChem:322201?
The molecular formula of RefChem:322201 is C19H29N3O6.
What is the molecular weight of RefChem:322201?
The molecular weight of RefChem:322201 is 395.21 g/mol.
Where can I buy RefChem:322201?
You can request a quote for RefChem:322201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322201?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.