1,3-Diethyl 2-cyclopentylidenepropanedioate
TL;DR: 1,3-Diethyl 2-cyclopentylidenepropanedioate (CAS 41589-42-8) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-cyclopentylidenepropanedioate
Also Known As: Diethyl 2-cyclopentylidenepropanedioate, 6-Hydroxy-1-naphthoic acid, diethyl cyclopentylidenemalonate, 1,3-diethyl 2-cyclopentylidenepropanedioate, Diethyl cyclopentylidenepropanedioate
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.9832 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 276.14062 |
Chemical Identifiers
| CAS Number | 41589-42-8 |
|---|---|
| SMILES | CCOC(=O)C(=C1CCCC1)C(=O)OCC |
Product Overview
1,3-Diethyl 2-cyclopentylidenepropanedioate (CAS 41589-42-8), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: diethyl 2-cyclopentylidenepropanedioate.
Chemical Property Profile of 1,3-Diethyl 2-cyclopentylidenepropanedioate
Property Insights of 1,3-Diethyl 2-cyclopentylidenepropanedioate
The XLogP value of 1.9832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-cyclopentylidenepropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Diethyl 2-cyclopentylidenepropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl 2-cyclopentylidenepropanedioate 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 1,3-Diethyl 2-cyclopentylidenepropanedioate?
The CAS number of 1,3-Diethyl 2-cyclopentylidenepropanedioate is 41589-42-8.
What is the molecular formula of 1,3-Diethyl 2-cyclopentylidenepropanedioate?
The molecular formula of 1,3-Diethyl 2-cyclopentylidenepropanedioate is C12H18O4.
What is the molecular weight of 1,3-Diethyl 2-cyclopentylidenepropanedioate?
The molecular weight of 1,3-Diethyl 2-cyclopentylidenepropanedioate is 226.12 g/mol.
Where can I buy 1,3-Diethyl 2-cyclopentylidenepropanedioate?
You can request a quote for 1,3-Diethyl 2-cyclopentylidenepropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-cyclopentylidenepropanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-cyclopentylidenepropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.