![(E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate structure](/static/products/370/370071-45-7.png)
(E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate
TL;DR: (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate (CAS 370071-45-7) is a chemical compound with molecular formula C29H26ClNO7 and molecular weight 535.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-[[4-(2-methylpropoxy)benzoyl]amino]prop-2-enoate
Also Known As: (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate, [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-[[4-(2-methylpropoxy)benzoyl]amino]prop-2-enoate, 2-(4-chlorophenyl)-2-oxoethyl (2E)-3-(1,3-benzodioxol-5-yl)-2-({[4-(2-methylpropoxy)phenyl]carbonyl}amino)prop-2-enoate
| Molecular Formula | C29H26ClNO7 |
|---|---|
| Molecular Weight | 535.14 g/mol |
| LogP | 5.3005 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 535.1398 |
| Heavy Atoms | 38 |
| Complexity | 1348.3445 |
Chemical Identifiers
| CAS Number | 370071-45-7 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)OCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
(E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate (CAS 370071-45-7), with molecular formula C29H26ClNO7 and molecular weight 535.14 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-[[4-(2-methylpropoxy)benzoyl]amino]prop-2-enoate.
Chemical Property Profile of (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate
Property Insights of (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate
The XLogP value of 5.3005 indicates that (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate. Following Lipinski's Rule of Five, (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate?
The CAS number of (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate is 370071-45-7.
What is the molecular formula of (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate?
The molecular formula of (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate is C29H26ClNO7.
What is the molecular weight of (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate?
The molecular weight of (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate is 535.14 g/mol.
Where can I buy (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate?
You can request a quote for (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-chlorophenyl)-2-oxoethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.