Prop-2-ynyl-2-chloropropionate
TL;DR: Prop-2-ynyl-2-chloropropionate (CAS 55360-12-8) is a chemical compound with molecular formula C6H7ClO2 and molecular weight 146.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 2-chloropropanoate
Also Known As: propargyl 2-chloropropionate, PROP-2-YNYL-2-CHLOROPROPIONATE, prop-2-ynyl 2-chloropropanoate, Prop-2-ynyl 2-chloropropionate, 2-Propyn-1-yl 2-chloropropanoate
| Molecular Formula | C6H7ClO2 |
|---|---|
| Molecular Weight | 146.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.01346 |
| Heavy Atoms | 9 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 55360-12-8 |
|---|---|
| SMILES | CC(C(=O)OCC#C)Cl |
| InChIKey | IOJGKOMZXQERIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prop-2-ynyl-2-chloropropionate (CAS 55360-12-8), with molecular formula C6H7ClO2 and molecular weight 146.01 g/mol. IUPAC: prop-2-ynyl 2-chloropropanoate.
Chemical Property Profile of Prop-2-ynyl-2-chloropropionate
Property Insights of Prop-2-ynyl-2-chloropropionate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-ynyl-2-chloropropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Prop-2-ynyl-2-chloropropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-ynyl-2-chloropropionate 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 Prop-2-ynyl-2-chloropropionate?
The CAS number of Prop-2-ynyl-2-chloropropionate is 55360-12-8.
What is the molecular formula of Prop-2-ynyl-2-chloropropionate?
The molecular formula of Prop-2-ynyl-2-chloropropionate is C6H7ClO2.
What is the molecular weight of Prop-2-ynyl-2-chloropropionate?
The molecular weight of Prop-2-ynyl-2-chloropropionate is 146.01 g/mol.
Where can I buy Prop-2-ynyl-2-chloropropionate?
You can request a quote for Prop-2-ynyl-2-chloropropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-ynyl-2-chloropropionate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-ynyl-2-chloropropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.