Ethyl N,N-dipropyl-beta-alaninate
TL;DR: Ethyl N,N-dipropyl-beta-alaninate (CAS 42980-55-2) is a chemical compound with molecular formula C11H23NO2 and molecular weight 201.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(dipropylamino)propanoate
Also Known As: ethyl 3-(dipropylamino)propanoate, ethyl 3-di-n-propylaminopropionate, Ethyl N,N-dipropyl-beta-alaninate, ethyl n,n-dipropyl-, A-alaninate
| Molecular Formula | C11H23NO2 |
|---|---|
| Molecular Weight | 201.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 201.17288 |
| Heavy Atoms | 14 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 42980-55-2 |
|---|---|
| SMILES | CCCN(CCC)CCC(=O)OCC |
| InChIKey | SOLYWAUOPAAMCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl N,N-dipropyl-beta-alaninate (CAS 42980-55-2), with molecular formula C11H23NO2 and molecular weight 201.17 g/mol. IUPAC: ethyl 3-(dipropylamino)propanoate.
Chemical Property Profile of Ethyl N,N-dipropyl-beta-alaninate
Property Insights of Ethyl N,N-dipropyl-beta-alaninate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N,N-dipropyl-beta-alaninate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl N,N-dipropyl-beta-alaninate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N,N-dipropyl-beta-alaninate has 0 hydrogen bond donor(s) and 3 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,N-dipropyl-beta-alaninate?
The CAS number of Ethyl N,N-dipropyl-beta-alaninate is 42980-55-2.
What is the molecular formula of Ethyl N,N-dipropyl-beta-alaninate?
The molecular formula of Ethyl N,N-dipropyl-beta-alaninate is C11H23NO2.
What is the molecular weight of Ethyl N,N-dipropyl-beta-alaninate?
The molecular weight of Ethyl N,N-dipropyl-beta-alaninate is 201.17 g/mol.
Where can I buy Ethyl N,N-dipropyl-beta-alaninate?
You can request a quote for Ethyl N,N-dipropyl-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,N-dipropyl-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N,N-dipropyl-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.