2-Propyn-1-ol, trichloroacetate
TL;DR: 2-Propyn-1-ol, trichloroacetate (CAS 51698-77-2) is a chemical compound with molecular formula C5H3Cl3O2 and molecular weight 199.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 2,2,2-trichloroacetate
Also Known As: propargyl trichloroacetate, 2-Propyn-1-ol, trichloroacetate, 2-Propynyl trichloroacetate, Prop-2-yn-1-yl trichloroacetate, Trichloroacetic acid propargyl ester
| Molecular Formula | C5H3Cl3O2 |
|---|---|
| Molecular Weight | 199.92 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.91986 |
| Heavy Atoms | 10 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 51698-77-2 |
|---|---|
| SMILES | C#CCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | PGSHGNZXQJZXFA-UHFFFAOYSA-N |
Product Overview
2-Propyn-1-ol, trichloroacetate (CAS 51698-77-2), with molecular formula C5H3Cl3O2 and molecular weight 199.92 g/mol. IUPAC: prop-2-ynyl 2,2,2-trichloroacetate.
Chemical Property Profile of 2-Propyn-1-ol, trichloroacetate
Property Insights of 2-Propyn-1-ol, trichloroacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propyn-1-ol, trichloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propyn-1-ol, trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propyn-1-ol, trichloroacetate 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-Propyn-1-ol, trichloroacetate?
The CAS number of 2-Propyn-1-ol, trichloroacetate is 51698-77-2.
What is the molecular formula of 2-Propyn-1-ol, trichloroacetate?
The molecular formula of 2-Propyn-1-ol, trichloroacetate is C5H3Cl3O2.
What is the molecular weight of 2-Propyn-1-ol, trichloroacetate?
The molecular weight of 2-Propyn-1-ol, trichloroacetate is 199.92 g/mol.
Where can I buy 2-Propyn-1-ol, trichloroacetate?
You can request a quote for 2-Propyn-1-ol, trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propyn-1-ol, trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Propyn-1-ol, trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.