![Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate structure](/static/products/3155/31555-03-0.webp)
Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate
TL;DR: Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate (CAS 31555-03-0) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(oxan-2-yloxy)but-2-ynoate
Also Known As: ethyl 4-(oxan-2-yloxy)but-2-ynoate, Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate, J2.292.566K, ethyl 4-(tetrahydro-2H-pyran-2-yloxy)but-2-ynoate, ethyl 4-((tetrahydro-2H-pyran-2-yl)oxy)but-2-ynoate
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 31555-03-0 |
|---|---|
| SMILES | CCOC(=O)C#CCOC1CCCCO1 |
| InChIKey | VDUSYQUDWKLMOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate (CAS 31555-03-0), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: ethyl 4-(oxan-2-yloxy)but-2-ynoate.
Chemical Property Profile of Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate
Property Insights of Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate 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 Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate?
The CAS number of Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate is 31555-03-0.
What is the molecular formula of Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate?
The molecular formula of Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate is C11H16O4.
What is the molecular weight of Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate?
The molecular weight of Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate is 212.10 g/mol.
Where can I buy Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate?
You can request a quote for Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[tetrahydropyran-2-yloxy]-2-butynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.