diethyl (2S)-2-(diethylamino)butanedioate
TL;DR: diethyl (2S)-2-(diethylamino)butanedioate (CAS 42932-14-9) is a chemical compound with molecular formula C12H23NO4 and molecular weight 245.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (2S)-2-(diethylamino)butanedioate
Also Known As: diethyl (2S)-2-(diethylamino)butanedioate, Diethyl N,N-diethyl-L-aspartate, Diethyl 2-diethylaminobutanedioate, L-Aspartic acid,N,N-diethyl-,diethyl ester, L-Aspartic acid, N,N-diethyl-, diethyl ester
| Molecular Formula | C12H23NO4 |
|---|---|
| Molecular Weight | 245.16 g/mol |
| LogP | 1.2131 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 245.1627 |
| Heavy Atoms | 17 |
| Complexity | 238.66013 |
Chemical Identifiers
| CAS Number | 42932-14-9 |
|---|---|
| SMILES | CCN(CC)[C@@H](CC(=O)OCC)C(=O)OCC |
Product Overview
diethyl (2S)-2-(diethylamino)butanedioate (CAS 42932-14-9), with molecular formula C12H23NO4 and molecular weight 245.16 g/mol. IUPAC: diethyl (2S)-2-(diethylamino)butanedioate.
Chemical Property Profile of diethyl (2S)-2-(diethylamino)butanedioate
Property Insights of diethyl (2S)-2-(diethylamino)butanedioate
The XLogP value of 1.2131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl (2S)-2-(diethylamino)butanedioate. With a topological polar surface area (TPSA) of 55.84 Ų, diethyl (2S)-2-(diethylamino)butanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diethyl (2S)-2-(diethylamino)butanedioate 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
Frequently Asked Questions
What is the CAS number of diethyl (2S)-2-(diethylamino)butanedioate?
The CAS number of diethyl (2S)-2-(diethylamino)butanedioate is 42932-14-9.
What is the molecular formula of diethyl (2S)-2-(diethylamino)butanedioate?
The molecular formula of diethyl (2S)-2-(diethylamino)butanedioate is C12H23NO4.
What is the molecular weight of diethyl (2S)-2-(diethylamino)butanedioate?
The molecular weight of diethyl (2S)-2-(diethylamino)butanedioate is 245.16 g/mol.
Where can I buy diethyl (2S)-2-(diethylamino)butanedioate?
You can request a quote for diethyl (2S)-2-(diethylamino)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl (2S)-2-(diethylamino)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl (2S)-2-(diethylamino)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.