Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate
TL;DR: Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate (CAS 149520-08-1) 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 (3R)-3-amino-3-(1,3-benzodioxol-5-yl)propanoate
Also Known As: -3-Amino-3- propionicacidethylester, ethyl (3R)-3-amino-3-(1,3-benzodioxol-5-yl)propanoate, BAS 02768155, ETHYL (3R)-3-AMINO-3-(2H-1,3-BENZODIOXOL-5-YL)PROPANOATE, J2.640.869E
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)C[C@H](C1=CC2=C(C=C1)OCO2)N |
| InChIKey | CUMDNQXYGSSDHW-SECBINFHSA-N |
Chemical Property Profile of Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate
Property Insights of Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate. Following Lipinski's Rule of Five, Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate 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 Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate?
The CAS number of Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate is 149520-08-1.
What is the molecular formula of Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate?
The molecular formula of Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate is C12H15NO4.
What is the molecular weight of Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate?
The molecular weight of Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate is 237.10011 g/mol.
Where can I buy Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate?
You can request a quote for Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl (3R)-3-amino-3-(2H-1,3-benzodioxol-5-YL)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.