Ethyl alpha-amino-1,3-benzodioxole-5-propanoate
TL;DR: Ethyl alpha-amino-1,3-benzodioxole-5-propanoate (CAS 148806-55-7) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-(1,3-benzodioxol-5-yl)propanoate
Also Known As: ethyl 2-amino-3-(1,3-dioxaindan-5-yl)propanoate, Ethyl alpha-amino-1,3-benzodioxole-5-propanoate, 3,4-methanediyldioxy-DL-phenylalanine ethyl ester, Ethyl 3-(2H-1,3-benzodioxol-5-yl)alaninate, Ethyl I+/--amino-1,3-benzodioxole-5-propanoate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 0.8482 |
| Topological Polar Surface Area | 70.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 418.9667 |
Chemical Identifiers
| CAS Number | 148806-55-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC2=C(C=C1)OCO2)N |
Product Overview
Ethyl alpha-amino-1,3-benzodioxole-5-propanoate (CAS 148806-55-7), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: ethyl 2-amino-3-(1,3-benzodioxol-5-yl)propanoate.
Chemical Property Profile of Ethyl alpha-amino-1,3-benzodioxole-5-propanoate
Property Insights of Ethyl alpha-amino-1,3-benzodioxole-5-propanoate
The XLogP value of 0.8482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl alpha-amino-1,3-benzodioxole-5-propanoate. The TPSA of 70.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl alpha-amino-1,3-benzodioxole-5-propanoate. Following Lipinski's Rule of Five, Ethyl alpha-amino-1,3-benzodioxole-5-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
Frequently Asked Questions
What is the CAS number of Ethyl alpha-amino-1,3-benzodioxole-5-propanoate?
The CAS number of Ethyl alpha-amino-1,3-benzodioxole-5-propanoate is 148806-55-7.
What is the molecular formula of Ethyl alpha-amino-1,3-benzodioxole-5-propanoate?
The molecular formula of Ethyl alpha-amino-1,3-benzodioxole-5-propanoate is C12H15NO4.
What is the molecular weight of Ethyl alpha-amino-1,3-benzodioxole-5-propanoate?
The molecular weight of Ethyl alpha-amino-1,3-benzodioxole-5-propanoate is 237.10 g/mol.
Where can I buy Ethyl alpha-amino-1,3-benzodioxole-5-propanoate?
You can request a quote for Ethyl alpha-amino-1,3-benzodioxole-5-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl alpha-amino-1,3-benzodioxole-5-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-amino-1,3-benzodioxole-5-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.