![3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid structure](/static/products/374/374701-70-9.png)
3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid
TL;DR: 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid (CAS 374701-70-9) is a chemical compound with molecular formula C21H21NO6 and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-2-[[4-(2-methylpropoxy)benzoyl]amino]prop-2-enoic acid
Also Known As: BAS 02717848, BIM-0013544.P001, 3-Benzo[1,3]dioxol-5-yl-2-(4-isobutoxy-benzoylamino)-acrylic acid, (E)-3-(benzo[d][1,3]dioxol-5-yl)-2-(4-isobutoxybenzamido)acrylic acid, 3-(1,3-benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid
| Molecular Formula | C21H21NO6 |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 3.3056 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.1369 |
| Heavy Atoms | 28 |
| Complexity | 901.6119 |
Chemical Identifiers
| CAS Number | 374701-70-9 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)O |
Product Overview
3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid (CAS 374701-70-9), with molecular formula C21H21NO6 and molecular weight 383.14 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-2-[[4-(2-methylpropoxy)benzoyl]amino]prop-2-enoic acid.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid
Property Insights of 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid
The XLogP value of 3.3056 indicates that 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid has 2 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 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid is 374701-70-9.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid is C21H21NO6.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid is 383.14 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-2-[(4-isobutoxybenzoyl)amino]acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.