ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate
TL;DR: ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate (CAS 67044-05-7) is a chemical compound with molecular formula C14H21NO4 and molecular weight 267.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3,4-dimethoxyphenyl)methylamino]propanoate
Also Known As: ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate, Ethyl 3-[(3,4-dimethoxyphenyl)methylamino]propanoate, Ethyl N-[(3,4-dimethoxyphenyl)methyl]-beta-alaninate, 3-(3,4-Dimethoxy-benzylamino)-propionic acid ethyl ester, N-[(3,4-Dimethoxyphenyl)methyl]-beta-alanine ethyl ester
| Molecular Formula | C14H21NO4 |
|---|---|
| Molecular Weight | 267.15 g/mol |
| LogP | 1.7466 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 267.14706 |
| Heavy Atoms | 19 |
| Complexity | 406.43246 |
Chemical Identifiers
| CAS Number | 67044-05-7 |
|---|---|
| SMILES | CCOC(=O)CCNCC1=CC(=C(C=C1)OC)OC |
Product Overview
ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate (CAS 67044-05-7), with molecular formula C14H21NO4 and molecular weight 267.15 g/mol. IUPAC: ethyl 3-[(3,4-dimethoxyphenyl)methylamino]propanoate.
Chemical Property Profile of ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate
Property Insights of ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate
The XLogP value of 1.7466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate. With a topological polar surface area (TPSA) of 56.79 Ų, ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate 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 N-(3,4-dimethoxybenzyl)-beta-alaninate?
The CAS number of ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate is 67044-05-7.
What is the molecular formula of ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate?
The molecular formula of ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate is C14H21NO4.
What is the molecular weight of ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate?
The molecular weight of ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate is 267.15 g/mol.
Where can I buy ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate?
You can request a quote for ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(3,4-dimethoxybenzyl)-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.