Diethyl (cyclohex-2-en-1-yl)propanedioate
TL;DR: Diethyl (cyclohex-2-en-1-yl)propanedioate (CAS 6305-63-1) is a chemical compound with molecular formula C13H20O4 and molecular weight 240.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-cyclohex-2-en-1-ylpropanedioate
Also Known As: diethyl 2-(cyclohex-2-enyl)malonate, diethyl2- propanedioate, 1,3-diethyl 2-(cyclohex-2-en-1-yl)propanedioate, diethyl 2-cyclohex-2-en-1-ylpropanedioate, diethyl cyclohex-2-enylmalonate
| Molecular Formula | C13H20O4 |
|---|---|
| Molecular Weight | 240.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 240.13615 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 6305-63-1 |
|---|---|
| SMILES | CCOC(=O)C(C1CCCC=C1)C(=O)OCC |
| InChIKey | QAPHYQDNTJEPAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (cyclohex-2-en-1-yl)propanedioate (CAS 6305-63-1), with molecular formula C13H20O4 and molecular weight 240.14 g/mol. IUPAC: diethyl 2-cyclohex-2-en-1-ylpropanedioate.
Chemical Property Profile of Diethyl (cyclohex-2-en-1-yl)propanedioate
Property Insights of Diethyl (cyclohex-2-en-1-yl)propanedioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (cyclohex-2-en-1-yl)propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl (cyclohex-2-en-1-yl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (cyclohex-2-en-1-yl)propanedioate 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 (cyclohex-2-en-1-yl)propanedioate?
The CAS number of Diethyl (cyclohex-2-en-1-yl)propanedioate is 6305-63-1.
What is the molecular formula of Diethyl (cyclohex-2-en-1-yl)propanedioate?
The molecular formula of Diethyl (cyclohex-2-en-1-yl)propanedioate is C13H20O4.
What is the molecular weight of Diethyl (cyclohex-2-en-1-yl)propanedioate?
The molecular weight of Diethyl (cyclohex-2-en-1-yl)propanedioate is 240.14 g/mol.
Where can I buy Diethyl (cyclohex-2-en-1-yl)propanedioate?
You can request a quote for Diethyl (cyclohex-2-en-1-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (cyclohex-2-en-1-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (cyclohex-2-en-1-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.