Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate
TL;DR: Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate (CAS 938-79-4) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate
Also Known As: ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate, ETHYL 2-CYCLOPENTYL-2-HYDROXY-HEX-3-YNOATE
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 938-79-4 |
|---|---|
| SMILES | CCC#CC(C1CCCC1)(C(=O)OCC)O |
| InChIKey | JUPBIZFOXQSSII-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate (CAS 938-79-4), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate.
Chemical Property Profile of Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate
Property Insights of Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate has 1 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 Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate?
The CAS number of Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate is 938-79-4.
What is the molecular formula of Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate?
The molecular formula of Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate is C13H20O3.
What is the molecular weight of Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate?
The molecular weight of Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate is 224.14 g/mol.
Where can I buy Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate?
You can request a quote for Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.