2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
TL;DR: 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid (CAS 38243-40-2) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
Also Known As: Maybridge3_007598, BAS 00690380, 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid, 2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid, (2Z)-2-(ACETYLAMINO)-3-(1,3-BENZODIOXOL-5-YL)ACRYLIC ACID
| Molecular Formula | C12H11NO5 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.06372 |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 38243-40-2 |
|---|---|
| SMILES | CC(=O)NC(=CC1=CC2=C(C=C1)OCO2)C(=O)O |
| InChIKey | QTNHDDAPMUJZSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid (CAS 38243-40-2), with molecular formula C12H11NO5 and molecular weight 249.06 g/mol. IUPAC: 2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid.
Chemical Property Profile of 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
Property Insights of 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic 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 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The CAS number of 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid is 38243-40-2.
What is the molecular formula of 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The molecular formula of 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid is C12H11NO5.
What is the molecular weight of 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid?
The molecular weight of 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid is 249.06 g/mol.
Where can I buy 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid?
You can request a quote for 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.