![3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride structure](/static/products/1494/149498-94-2.webp)
3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride
TL;DR: 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride (CAS 149498-94-2) 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;hydron;chloride
Also Known As: ethyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate;hydron;chloride, 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride, ethyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate; hydron; chloride, IUPAC: Ethyl 3-amino-3-benzo[1,3]dioxol-5-yl-propanoate; Hydrogen(+1) Cation; Chloride
| Molecular Formula | C12H16ClNO4 |
|---|---|
| Molecular Weight | 273.08 g/mol |
| LogP | -1.5152 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.07678 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 149498-94-2 |
|---|---|
| SMILES | [H+].CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)N.[Cl-] |
| InChIKey | NKQHQIJWIYNEIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride (CAS 149498-94-2), with molecular formula C12H16ClNO4 and molecular weight 273.08 g/mol. IUPAC: ethyl 3-amino-3-(1,3-benzodioxol-5-yl)propanoate;hydron;chloride.
Chemical Property Profile of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride
Property Insights of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride
The XLogP value of -1.5152 indicates that 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. 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 hydrochloride. Following Lipinski's Rule of Five, 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride has 2 hydrogen bond donor(s) and 6 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 acid ethyl ester hydrochloride?
The CAS number of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride is 149498-94-2.
What is the molecular formula of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride?
The molecular formula of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride is C12H16ClNO4.
What is the molecular weight of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride?
The molecular weight of 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride is 273.08 g/mol.
Where can I buy 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride?
You can request a quote for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl 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 acid ethyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-benzo[1,3]dioxol-5-yl-propionic acid ethyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.