Cyclopropylmethyl chloroacetate
TL;DR: Cyclopropylmethyl chloroacetate (CAS 58370-96-0) is a chemical compound with molecular formula C6H9ClO2 and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopropylmethyl 2-chloroacetate
Also Known As: cyclopropylmethyl chloroacetate, cyclopropylmethyl 2-chloroacetate, Acetic acid, 2-chloro-,cyclopropylmethyl ester
| Molecular Formula | C6H9ClO2 |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.02911 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 58370-96-0 |
|---|---|
| SMILES | C1CC1COC(=O)CCl |
| InChIKey | UNBGDHXJUAKPFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopropylmethyl chloroacetate (CAS 58370-96-0), with molecular formula C6H9ClO2 and molecular weight 148.03 g/mol. IUPAC: cyclopropylmethyl 2-chloroacetate.
Chemical Property Profile of Cyclopropylmethyl chloroacetate
Property Insights of Cyclopropylmethyl chloroacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropylmethyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopropylmethyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropylmethyl 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 Cyclopropylmethyl chloroacetate?
The CAS number of Cyclopropylmethyl chloroacetate is 58370-96-0.
What is the molecular formula of Cyclopropylmethyl chloroacetate?
The molecular formula of Cyclopropylmethyl chloroacetate is C6H9ClO2.
What is the molecular weight of Cyclopropylmethyl chloroacetate?
The molecular weight of Cyclopropylmethyl chloroacetate is 148.03 g/mol.
Where can I buy Cyclopropylmethyl chloroacetate?
You can request a quote for Cyclopropylmethyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropylmethyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropylmethyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.