![3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride structure](/static/products/893/893396-15-1.png)
3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride
TL;DR: 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride (CAS 893396-15-1) is a chemical compound with molecular formula C12H16ClNO4 and molecular weight 273.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate;hydrochloride
Also Known As: 2-amino-6-fluorobenzamide, 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride, 2,4-Dibrom-buttersaeure-aethylester, ethyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate hydrochloride, ethyl 3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoate hydrochloride
| Molecular Formula | C12H16ClNO4 |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | 1.7901 |
| Topological Polar Surface Area | 70.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.07678 |
| Heavy Atoms | 18 |
| Complexity | 424.53848 |
Chemical Identifiers
| CAS Number | 893396-15-1 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)N.Cl |
Product Overview
3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride (CAS 893396-15-1), with molecular formula C12H16ClNO4 and molecular weight 273.08 g/mol. IUPAC: ethyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate;hydrochloride.
Chemical Property Profile of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride
Property Insights of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride
The XLogP value of 1.7901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride. The TPSA of 70.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride. Following Lipinski's Rule of Five, 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride 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 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride?
The CAS number of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride is 893396-15-1.
What is the molecular formula of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride?
The molecular formula of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride is C12H16ClNO4.
What is the molecular weight of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride?
The molecular weight of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride is 273.08 g/mol.
Where can I buy 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride?
You can request a quote for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acidethyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.