1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol
TL;DR: 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol (CAS 517-82-8) is a chemical compound with molecular formula C7H11ClO2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-but-3-yn-2-yloxy-3-chloropropan-2-ol
Also Known As: 1-(but-3-yn-2-yloxy)-3-chloropropan-2-ol, KST-1B4725, 1-but-3-yn-2-yloxy-3-chloropropan-2-ol, N-(4-tetrahydropyran-2-yloxy-phenyl)-acetamide, 1-[(But-3-yn-2-yl)oxy]-3-chloropropan-2-ol
| Molecular Formula | C7H11ClO2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.04475 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 517-82-8 |
|---|---|
| SMILES | CC(C#C)OCC(CCl)O |
| InChIKey | QAEXJQYMMYFQNN-UHFFFAOYSA-N |
Product Overview
1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol (CAS 517-82-8), with molecular formula C7H11ClO2 and molecular weight 162.04 g/mol. IUPAC: 1-but-3-yn-2-yloxy-3-chloropropan-2-ol.
Chemical Property Profile of 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol
Property Insights of 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol. With a topological polar surface area (TPSA) of 29.5 Ų, 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol has 1 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 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol?
The CAS number of 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol is 517-82-8.
What is the molecular formula of 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol?
The molecular formula of 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol is C7H11ClO2.
What is the molecular weight of 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol?
The molecular weight of 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol is 162.04 g/mol.
Where can I buy 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol?
You can request a quote for 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(But-3-yn-2-yloxy)-3-chloropropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.