Propyl chloroacetate
TL;DR: Propyl chloroacetate (CAS 5396-24-7) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-chloroacetate
Also Known As: Propyl chloroacetate, propyl 2-chloroacetate, Propylchloracetat, Chloroacetic acid propyl ester, Propylchloroacetate
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 5396-24-7 |
|---|---|
| SMILES | CCCOC(=O)CCl |
| InChIKey | QJZNRCWAXUGABH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propyl chloroacetate (CAS 5396-24-7), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: propyl 2-chloroacetate.
Chemical Property Profile of Propyl chloroacetate
Property Insights of Propyl chloroacetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl chloroacetate 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 Propyl chloroacetate?
The CAS number of Propyl chloroacetate is 5396-24-7.
What is the molecular formula of Propyl chloroacetate?
The molecular formula of Propyl chloroacetate is C5H9ClO2.
What is the molecular weight of Propyl chloroacetate?
The molecular weight of Propyl chloroacetate is 136.03 g/mol.
Where can I buy Propyl chloroacetate?
You can request a quote for Propyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Propyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.