![3-[2-Diethylaminoethyl]-2,4-pentanedione structure](/static/products/521/52191-92-1.png)
3-[2-Diethylaminoethyl]-2,4-pentanedione
TL;DR: 3-[2-Diethylaminoethyl]-2,4-pentanedione (CAS 52191-92-1) is a chemical compound with molecular formula C11H21NO2 and molecular weight 199.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(diethylamino)ethyl]pentane-2,4-dione
Also Known As: 3-[2-Diethylaminoethyl]-2,4-pentanedione, 3-(2-diethylamino-ethyl)-pentane-2,4-dione, 3-(2-diethylaminoethyl)pentane-2,4-dione, 3-(beta-diethylaminoethyl)pentane-2,4-dione
| Molecular Formula | C11H21NO2 |
|---|---|
| Molecular Weight | 199.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 199.15723 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 52191-92-1 |
|---|---|
| SMILES | CCN(CC)CCC(C(=O)C)C(=O)C |
| InChIKey | ZJSHUBNIFBGLFU-UHFFFAOYSA-N |
Product Overview
3-[2-Diethylaminoethyl]-2,4-pentanedione (CAS 52191-92-1), with molecular formula C11H21NO2 and molecular weight 199.16 g/mol. IUPAC: 3-[2-(diethylamino)ethyl]pentane-2,4-dione.
Chemical Property Profile of 3-[2-Diethylaminoethyl]-2,4-pentanedione
Property Insights of 3-[2-Diethylaminoethyl]-2,4-pentanedione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-Diethylaminoethyl]-2,4-pentanedione. With a topological polar surface area (TPSA) of 37.4 Ų, 3-[2-Diethylaminoethyl]-2,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-Diethylaminoethyl]-2,4-pentanedione 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 3-[2-Diethylaminoethyl]-2,4-pentanedione?
The CAS number of 3-[2-Diethylaminoethyl]-2,4-pentanedione is 52191-92-1.
What is the molecular formula of 3-[2-Diethylaminoethyl]-2,4-pentanedione?
The molecular formula of 3-[2-Diethylaminoethyl]-2,4-pentanedione is C11H21NO2.
What is the molecular weight of 3-[2-Diethylaminoethyl]-2,4-pentanedione?
The molecular weight of 3-[2-Diethylaminoethyl]-2,4-pentanedione is 199.16 g/mol.
Where can I buy 3-[2-Diethylaminoethyl]-2,4-pentanedione?
You can request a quote for 3-[2-Diethylaminoethyl]-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-Diethylaminoethyl]-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-Diethylaminoethyl]-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.