Propionic acid, butyl-4,4,4-d3 ester
TL;DR: Propionic acid, butyl-4,4,4-d3 ester (CAS 5756-58-1) is a chemical compound with molecular formula C21H17BrN2O4 and molecular weight 440.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Also Known As: Propionic acid, butyl-4,4,4-d3 ester, N'-[(Z)-(3-bromo-4-methoxyphenyl)methylidene]-2,3-dihydronaphtho[2,3-b][1,4]dioxine-2-carbohydrazide, N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide, N'-(3-bromo-4-methoxybenzylidene)-2,3-dihydronaphtho[2,3-b][1,4]dioxine-2-carbohydrazide
| Molecular Formula | C21H17BrN2O4 |
|---|---|
| Molecular Weight | 440.04 g/mol |
| LogP | 3.901 |
| Topological Polar Surface Area | 69.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.03717 |
| Heavy Atoms | 28 |
| Complexity | 1067.455 |
Chemical Identifiers
| CAS Number | 5756-58-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N\NC(=O)C2COC3=CC4=CC=CC=C4C=C3O2)Br |
Product Overview
Propionic acid, butyl-4,4,4-d3 ester (CAS 5756-58-1), with molecular formula C21H17BrN2O4 and molecular weight 440.04 g/mol. IUPAC: N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide.
Chemical Property Profile of Propionic acid, butyl-4,4,4-d3 ester
Property Insights of Propionic acid, butyl-4,4,4-d3 ester
The XLogP value of 3.901 indicates that Propionic acid, butyl-4,4,4-d3 ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Propionic acid, butyl-4,4,4-d3 ester. Following Lipinski's Rule of Five, Propionic acid, butyl-4,4,4-d3 ester has 1 hydrogen bond donor(s) and 5 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 Propionic acid, butyl-4,4,4-d3 ester?
The CAS number of Propionic acid, butyl-4,4,4-d3 ester is 5756-58-1.
What is the molecular formula of Propionic acid, butyl-4,4,4-d3 ester?
The molecular formula of Propionic acid, butyl-4,4,4-d3 ester is C21H17BrN2O4.
What is the molecular weight of Propionic acid, butyl-4,4,4-d3 ester?
The molecular weight of Propionic acid, butyl-4,4,4-d3 ester is 440.04 g/mol.
Where can I buy Propionic acid, butyl-4,4,4-d3 ester?
You can request a quote for Propionic acid, butyl-4,4,4-d3 ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, butyl-4,4,4-d3 ester?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, butyl-4,4,4-d3 ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.