Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1)
TL;DR: Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1) (CAS 66859-68-5) is a chemical compound with molecular formula C13H20ClNO3 and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-ethoxy-3-(4-methoxyphenyl)-4-oxobutyl]azanium chloride
Also Known As: Ethyl 4-amino-2-(p-methoxyphenyl)butyrate hydrochloride, BUTYRIC ACID, 4-AMINO-2-(p-METHOXYPHENYL)-, ETHYL ESTER, HYDROCHLORIDE, [4-ethoxy-3-(4-methoxyphenyl)-4-oxobutyl]azanium chloride, Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1), Benzeneacetic acid, .alpha.-(2-aminoethyl)-4-methoxy-, ethyl ester, hydrochloride
| Molecular Formula | C13H20ClNO3 |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | -2.02 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.11316 |
| Heavy Atoms | 18 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 66859-68-5 |
|---|---|
| SMILES | CCOC(=O)C(CC[NH3+])C1=CC=C(C=C1)OC.[Cl-] |
| InChIKey | XWAOXDHAVCZJQD-UHFFFAOYSA-N |
Product Overview
Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1) (CAS 66859-68-5), with molecular formula C13H20ClNO3 and molecular weight 273.11 g/mol. IUPAC: [4-ethoxy-3-(4-methoxyphenyl)-4-oxobutyl]azanium chloride.
Chemical Property Profile of Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1)
Property Insights of Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1)
The XLogP value of -2.02 indicates that Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 4 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-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1)?
The CAS number of Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1) is 66859-68-5.
What is the molecular formula of Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1)?
The molecular formula of Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1) is C13H20ClNO3.
What is the molecular weight of Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1)?
The molecular weight of Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1) is 273.11 g/mol.
Where can I buy Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1)?
You can request a quote for Ethyl 4-amino-2-(4-methoxyphenyl)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-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-2-(4-methoxyphenyl)butanoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.