3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
TL;DR: 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid (CAS 54503-66-1) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
Also Known As: 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid, ZERO/001613, aminoethoxymethoxyphenylpropanoicacid, 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid hydrochloride, 3-(4-Ethoxy-3-methoxyphenyl)-beta-alanine #
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 54503-66-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(CC(=O)O)N)OC |
| InChIKey | OOKYWAXNZYBZER-UHFFFAOYSA-N |
Product Overview
3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid (CAS 54503-66-1), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: 3-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid.
Chemical Property Profile of 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
Property Insights of 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
The XLogP value of -1.7 indicates that 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid. Following Lipinski's Rule of Five, 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid has 2 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-(4-ethoxy-3-methoxyphenyl)propanoic acid?
The CAS number of 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid is 54503-66-1.
What is the molecular formula of 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid?
The molecular formula of 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid is C12H17NO4.
What is the molecular weight of 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid?
The molecular weight of 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid is 239.12 g/mol.
Where can I buy 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid?
You can request a quote for 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid 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-(4-ethoxy-3-methoxyphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.