![3-[2-Tetrahydropyranyloxy]-1-butyne structure](/static/products/226/226987-11-7.png)
3-[2-Tetrahydropyranyloxy]-1-butyne
TL;DR: 3-[2-Tetrahydropyranyloxy]-1-butyne (CAS 226987-11-7) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-but-3-yn-2-yloxyoxane
Also Known As: 2-but-3-yn-2-yloxyoxane, 3-[2-Tetrahydropyranyloxy]-1-butyne, 2-(3-Butyn-2-yloxy)tetrahydropyran, 2-[(But-3-yn-2-yl)oxy]oxane, 2-(BUT-3-YN-2-YLOXY)OXANE
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 226987-11-7 |
|---|---|
| SMILES | CC(C#C)OC1CCCCO1 |
| InChIKey | NCRMIONWUHXVIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[2-Tetrahydropyranyloxy]-1-butyne (CAS 226987-11-7), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: 2-but-3-yn-2-yloxyoxane.
Chemical Property Profile of 3-[2-Tetrahydropyranyloxy]-1-butyne
Property Insights of 3-[2-Tetrahydropyranyloxy]-1-butyne
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-Tetrahydropyranyloxy]-1-butyne. With a topological polar surface area (TPSA) of 18.5 Ų, 3-[2-Tetrahydropyranyloxy]-1-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-Tetrahydropyranyloxy]-1-butyne has 0 hydrogen bond donor(s) and 2 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 3-[2-Tetrahydropyranyloxy]-1-butyne?
The CAS number of 3-[2-Tetrahydropyranyloxy]-1-butyne is 226987-11-7.
What is the molecular formula of 3-[2-Tetrahydropyranyloxy]-1-butyne?
The molecular formula of 3-[2-Tetrahydropyranyloxy]-1-butyne is C9H14O2.
What is the molecular weight of 3-[2-Tetrahydropyranyloxy]-1-butyne?
The molecular weight of 3-[2-Tetrahydropyranyloxy]-1-butyne is 154.10 g/mol.
Where can I buy 3-[2-Tetrahydropyranyloxy]-1-butyne?
You can request a quote for 3-[2-Tetrahydropyranyloxy]-1-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-Tetrahydropyranyloxy]-1-butyne?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-Tetrahydropyranyloxy]-1-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.