beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester
TL;DR: beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester (CAS 162739-31-3) is a chemical compound with molecular formula C13H25NO4 and molecular weight 259.17834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-[(3-ethoxy-3-oxopropyl)-propan-2-ylamino]propanoate
Also Known As: Diethyl 3,3'-[(propan-2-yl)azanediyl]dipropanoate, 3,3 -(Isopropylimino)dipropionic acid diethyl ester, beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester, ethyl 3-[(3-ethoxy-3-oxopropyl)(isopropyl)amino]propanoate, diethyl 3,3'-(propan-2-ylimino)dipropanoate(non-preferred name)
Technical Specifications
| Molecular Formula | C13H25NO4 |
| Molecular Weight | 259.17834 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 259.17834 Da |
| Heavy Atoms | 18 |
| Complexity | 231.0 |
| SMILES | CCOC(=O)CCN(CCC(=O)OCC)C(C)C |
| InChIKey | BMLICZLCSBWNEJ-UHFFFAOYSA-N |
Chemical Property Profile of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester
Property Insights of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester. With a topological polar surface area (TPSA) of 55.8 Ų, beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester has 0 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 beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester?
The CAS number of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester is 162739-31-3.
What is the molecular formula of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester?
The molecular formula of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester is C13H25NO4.
What is the molecular weight of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester?
The molecular weight of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester is 259.17834 g/mol.
Where can I buy beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester?
You can request a quote for beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(1-methylethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.