Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate
TL;DR: Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate (CAS 60947-40-2) is a chemical compound with molecular formula C9H13ClO4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate
Also Known As: propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate
| Molecular Formula | C9H13ClO4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.05023 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 60947-40-2 |
|---|---|
| SMILES | CCCOC(=O)C1(CCC(=O)O1)CCl |
| InChIKey | OMPVWYUIUKQOQX-UHFFFAOYSA-N |
Product Overview
Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate (CAS 60947-40-2), with molecular formula C9H13ClO4 and molecular weight 220.05 g/mol. IUPAC: propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate.
Chemical Property Profile of Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate
Property Insights of Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 2-(chloromethyl)-5-oxooxolane-2-carboxylate?
The CAS number of Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate is 60947-40-2.
What is the molecular formula of Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate?
The molecular formula of Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate is C9H13ClO4.
What is the molecular weight of Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate?
The molecular weight of Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate is 220.05 g/mol.
Where can I buy Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate?
You can request a quote for Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-(chloromethyl)-5-oxooxolane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.