Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate
TL;DR: Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate (CAS 6817-95-4) is a chemical compound with molecular formula C18H14BrNO5 and molecular weight 403.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate
Also Known As: Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate, methyl 3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate, Methyl 3-benzo[1,3]dioxol-5-yl-2-[(2-bromobenzoyl)amino]prop-2-enoate
| Molecular Formula | C18H14BrNO5 |
|---|---|
| Molecular Weight | 403.01 g/mol |
| LogP | 3.1217 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.00555 |
| Heavy Atoms | 25 |
| Complexity | 862.295 |
Chemical Identifiers
| CAS Number | 6817-95-4 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Br |
Product Overview
Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate (CAS 6817-95-4), with molecular formula C18H14BrNO5 and molecular weight 403.01 g/mol. IUPAC: methyl 3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate.
Chemical Property Profile of Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate
Property Insights of Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate
The XLogP value of 3.1217 indicates that Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate. Following Lipinski's Rule of Five, Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate 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 Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate?
The CAS number of Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate is 6817-95-4.
What is the molecular formula of Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate?
The molecular formula of Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate is C18H14BrNO5.
What is the molecular weight of Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate?
The molecular weight of Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate is 403.01 g/mol.
Where can I buy Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate?
You can request a quote for Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2H-1,3-benzodioxol-5-yl)-2-(2-bromobenzamido)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.