![N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide structure](/static/products/425/425400-16-4.png)
N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide
TL;DR: N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide (CAS 425400-16-4) is a chemical compound with molecular formula C21H19BrN2O5 and molecular weight 458.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-bromobenzamide
Also Known As: BAS 01506307, N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide, (Z)-N-(1-(benzo[d][1,3]dioxol-5-yl)-3-morpholino-3-oxoprop-1-en-2-yl)-2-bromobenzamide, N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-bromobenzamide, N-[(1Z)-1-(1,3-benzodioxol-5-yl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-2-bromobenzamide
| Molecular Formula | C21H19BrN2O5 |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 2.8075 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.04773 |
| Heavy Atoms | 29 |
| Complexity | 969.2939 |
Chemical Identifiers
| CAS Number | 425400-16-4 |
|---|---|
| SMILES | C1COCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CC=C4Br |
Product Overview
N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide (CAS 425400-16-4), with molecular formula C21H19BrN2O5 and molecular weight 458.05 g/mol. IUPAC: N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-2-bromobenzamide.
Chemical Property Profile of N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide
Property Insights of N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide
The XLogP value of 2.8075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide. Following Lipinski's Rule of Five, N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide 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 N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide?
The CAS number of N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide is 425400-16-4.
What is the molecular formula of N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide?
The molecular formula of N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide is C21H19BrN2O5.
What is the molecular weight of N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide?
The molecular weight of N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide is 458.05 g/mol.
Where can I buy N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide?
You can request a quote for N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-Benzo[1,3]dioxol-5-yl-1-(morpholine-4-carbonyl)-vinyl]-2-bromo-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.