![3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester structure](/static/products/1495/149520-09-2.webp)
3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester
TL;DR: 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester (CAS 149520-09-2) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate
Also Known As: BAS 02768155, ethyl 3-amino-3-(1,3-dioxaindan-5-yl)propanoate, ethyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate, 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester, J1.810.046K
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.10011 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.10011 Da |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
| SMILES | CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)N |
| InChIKey | CUMDNQXYGSSDHW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester
Property Insights of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester. Following Lipinski's Rule of Five, 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester 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
What is the CAS number of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester?
The CAS number of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester is 149520-09-2.
What is the molecular formula of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester?
The molecular formula of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester is C12H15NO4.
What is the molecular weight of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester?
The molecular weight of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester is 237.10011 g/mol.
Where can I buy 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester?
You can request a quote for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.