3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester
TL;DR: 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester (CAS 468714-15-0) is a chemical compound with molecular formula C14H22ClNO4 and molecular weight 303.12375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[(3,4-dimethoxyphenyl)methylamino]propanoate;hydrochloride
Also Known As: 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester, Ethyl 3-[(3,4-dimethoxyphenyl)methylamino]propanoate Hydrochloride, ethyl 3-((3,4-dimethoxybenzyl)amino)propanoate hydrochloride
Technical Specifications
| Molecular Formula | C14H22ClNO4 |
| Molecular Weight | 303.12375 g/mol |
| XLogP | 2.1684 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 303.12375 Da |
| Heavy Atoms | 20 |
| Complexity | 260.0 |
| SMILES | CCOC(=O)CCNCC1=CC(=C(C=C1)OC)OC.Cl |
| InChIKey | XPRBJHSSHVJORG-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester
Property Insights of 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester
The XLogP value of 2.1684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester. With a topological polar surface area (TPSA) of 56.8 Ų, 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester 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
What is the CAS number of 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester?
The CAS number of 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester is 468714-15-0.
What is the molecular formula of 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester?
The molecular formula of 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester is C14H22ClNO4.
What is the molecular weight of 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester?
The molecular weight of 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester is 303.12375 g/mol.
Where can I buy 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester?
You can request a quote for 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.