Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate
TL;DR: Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate (CAS 6948-00-1) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate
Also Known As: ethyl hydroxy(2-oxocyclopent-3-en-1-ylidene)acetate, ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate, ETHYL (2Z)-2-HYDROXY-2-(2-OXO-1-CYCLOPENT-3-ENYLIDENE)ACETATE
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 6948-00-1 |
|---|---|
| SMILES | CCOC(=O)C(=C1CC=CC1=O)O |
| InChIKey | HKUDFFLYGMMKKQ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate (CAS 6948-00-1), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate.
Chemical Property Profile of Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate
Property Insights of Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate. Following Lipinski's Rule of Five, Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate has 1 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 Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate?
The CAS number of Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate is 6948-00-1.
What is the molecular formula of Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate?
The molecular formula of Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate is C9H10O4.
What is the molecular weight of Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate?
The molecular weight of Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate is 182.06 g/mol.
Where can I buy Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate?
You can request a quote for Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.