Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1)
TL;DR: Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1) (CAS 66859-44-7) is a chemical compound with molecular formula C13H18ClNO4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzodioxol-5-yl)-4-ethoxy-4-oxobutyl]azanium chloride
Also Known As: Ethyl 4-amino-2-(3,4-methylenedioxyphenyl)butyrate hydrochloride, BUTYRIC ACID, 4-AMINO-2-(3,4-METHYLENEDIOXYPHENYL)-, ETHYL ESTER, HYDROCHLORIDE, [3-(1,3-benzodioxol-5-yl)-4-ethoxy-4-oxobutyl]azanium chloride, 1,3-Benzodioxole-5-acetic acid, .alpha.-(2-aminoethyl)-, ethyl ester, hydrochloride, Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1)
| Molecular Formula | C13H18ClNO4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 72.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.09244 |
| Heavy Atoms | 19 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 66859-44-7 |
|---|---|
| SMILES | CCOC(=O)C(CC[NH3+])C1=CC2=C(C=C1)OCO2.[Cl-] |
| InChIKey | PZGKPZCMXDODAB-UHFFFAOYSA-N |
Product Overview
Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1) (CAS 66859-44-7), with molecular formula C13H18ClNO4 and molecular weight 287.09 g/mol. IUPAC: [3-(1,3-benzodioxol-5-yl)-4-ethoxy-4-oxobutyl]azanium chloride.
Chemical Property Profile of Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1)
Property Insights of Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1)
The XLogP value of -2.3 indicates that Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1) 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 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1)?
The CAS number of Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1) is 66859-44-7.
What is the molecular formula of Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1)?
The molecular formula of Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1) is C13H18ClNO4.
What is the molecular weight of Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1)?
The molecular weight of Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1) is 287.09 g/mol.
Where can I buy Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1)?
You can request a quote for Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-2-(2H-1,3-benzodioxol-5-yl)butanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.