Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride
TL;DR: Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride (CAS 54503-22-9) is a chemical compound with molecular formula C13H20ClNO4 and molecular weight 289.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate;hydrochloride
Also Known As: Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride, ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate;hydrochloride, Benzenepropanoic acid, I(2)-amino-3,4-dimethoxy-, ethyl ester, hydrochloride (1:1)
| Molecular Formula | C13H20ClNO4 |
|---|---|
| Molecular Weight | 289.11 g/mol |
| LogP | 2.0786 |
| Topological Polar Surface Area | 70.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.1081 |
| Heavy Atoms | 19 |
| Complexity | 411.62973 |
Chemical Identifiers
| CAS Number | 54503-22-9 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC(=C(C=C1)OC)OC)N.Cl |
Product Overview
Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride (CAS 54503-22-9), with molecular formula C13H20ClNO4 and molecular weight 289.11 g/mol. IUPAC: ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate;hydrochloride.
Chemical Property Profile of Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride
Property Insights of Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride
The XLogP value of 2.0786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride. The TPSA of 70.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride. Following Lipinski's Rule of Five, Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate 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 Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride?
The CAS number of Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride is 54503-22-9.
What is the molecular formula of Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride?
The molecular formula of Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride is C13H20ClNO4.
What is the molecular weight of Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride?
The molecular weight of Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride is 289.11 g/mol.
Where can I buy Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride?
You can request a quote for Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.