![2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane structure](/static/products/6772/67727-01-9.webp)
2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane
TL;DR: 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane (CAS 67727-01-9) is a chemical compound with molecular formula C9H13ClO2 and molecular weight 188.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorobut-2-ynoxy)oxane
Also Known As: starbld0038547, 2-[(4-chlorobut-2-yn-1-yl)oxy]oxane, THPO-CH2C=CCH2Cl, 2-(4-chlorobut-2-ynoxy)oxane, 2-(4-chloro-but-2-ynyloxy)-tetrahydropyran
| Molecular Formula | C9H13ClO2 |
|---|---|
| Molecular Weight | 188.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.06041 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 67727-01-9 |
|---|---|
| SMILES | C1CCOC(C1)OCC#CCCl |
| InChIKey | ISIPNGZFZUMSKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane (CAS 67727-01-9), with molecular formula C9H13ClO2 and molecular weight 188.06 g/mol. IUPAC: 2-(4-chlorobut-2-ynoxy)oxane.
Chemical Property Profile of 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane
Property Insights of 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane 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 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane?
The CAS number of 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane is 67727-01-9.
What is the molecular formula of 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane?
The molecular formula of 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane is C9H13ClO2.
What is the molecular weight of 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane?
The molecular weight of 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane is 188.06 g/mol.
Where can I buy 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane?
You can request a quote for 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorobut-2-yn-1-yl)oxy]oxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.