![(Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate structure](/static/products/836/836646-09-4.png)
(Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate
TL;DR: (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate (CAS 836646-09-4) is a chemical compound with molecular formula C22H23NO6 and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
Also Known As: (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate, 2-methylpropyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate, 2-methylpropyl (2Z)-3-(1,3-benzodioxol-5-yl)-2-{[(4-methoxyphenyl)carbonyl]amino}prop-2-enoate
| Molecular Formula | C22H23NO6 |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.394 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.15253 |
| Heavy Atoms | 29 |
| Complexity | 917.3998 |
Chemical Identifiers
| CAS Number | 836646-09-4 |
|---|---|
| SMILES | CC(C)COC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(C=C3)OC |
Product Overview
(Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate (CAS 836646-09-4), with molecular formula C22H23NO6 and molecular weight 397.15 g/mol. IUPAC: 2-methylpropyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate.
Chemical Property Profile of (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate
Property Insights of (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate
The XLogP value of 3.394 indicates that (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate. Following Lipinski's Rule of Five, (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate has 1 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 (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate?
The CAS number of (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate is 836646-09-4.
What is the molecular formula of (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate?
The molecular formula of (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate is C22H23NO6.
What is the molecular weight of (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate?
The molecular weight of (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate is 397.15 g/mol.
Where can I buy (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate?
You can request a quote for (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-isobutyl 3-(benzo[d][1,3]dioxol-5-yl)-2-(4-methoxybenzamido)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.