Diethyl 2-propan-2-ylidenepentanedioate
TL;DR: Diethyl 2-propan-2-ylidenepentanedioate (CAS 22094-49-1) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-propan-2-ylidenepentanedioate
Also Known As: alpha-Isopropyliden-glutarsaeurediethylester, Diethyl 2-propan-2-ylidenepentanedioate
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.2292 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 274.74335 |
Chemical Identifiers
| CAS Number | 22094-49-1 |
|---|---|
| SMILES | CCOC(=O)CCC(=C(C)C)C(=O)OCC |
Product Overview
Diethyl 2-propan-2-ylidenepentanedioate (CAS 22094-49-1), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: diethyl 2-propan-2-ylidenepentanedioate.
Chemical Property Profile of Diethyl 2-propan-2-ylidenepentanedioate
Property Insights of Diethyl 2-propan-2-ylidenepentanedioate
The XLogP value of 2.2292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-propan-2-ylidenepentanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-propan-2-ylidenepentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-propan-2-ylidenepentanedioate has 0 hydrogen bond donor(s) and 4 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 2-propan-2-ylidenepentanedioate?
The CAS number of Diethyl 2-propan-2-ylidenepentanedioate is 22094-49-1.
What is the molecular formula of Diethyl 2-propan-2-ylidenepentanedioate?
The molecular formula of Diethyl 2-propan-2-ylidenepentanedioate is C12H20O4.
What is the molecular weight of Diethyl 2-propan-2-ylidenepentanedioate?
The molecular weight of Diethyl 2-propan-2-ylidenepentanedioate is 228.14 g/mol.
Where can I buy Diethyl 2-propan-2-ylidenepentanedioate?
You can request a quote for Diethyl 2-propan-2-ylidenepentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-propan-2-ylidenepentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-propan-2-ylidenepentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.