Chloromethyl acetate
TL;DR: Chloromethyl acetate (CAS 625-56-9) is a chemical compound with molecular formula C3H5ClO2 and molecular weight 108.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloromethyl acetate
Also Known As: Chloromethyl acetate, Chloromethylacetate, Chlormethylacetat, Chloromethanol acetate, Chloromethyl ethanoate
| Molecular Formula | C3H5ClO2 |
|---|---|
| Molecular Weight | 108.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 107.99781 |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 625-56-9 |
|---|---|
| SMILES | CC(=O)OCCl |
| InChIKey | SMJYMSAPPGLBAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl acetate (CAS 625-56-9), with molecular formula C3H5ClO2 and molecular weight 108.00 g/mol. IUPAC: chloromethyl acetate.
Chemical Property Profile of Chloromethyl acetate
Property Insights of Chloromethyl acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Chloromethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl acetate 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 Chloromethyl acetate?
The CAS number of Chloromethyl acetate is 625-56-9.
What is the molecular formula of Chloromethyl acetate?
The molecular formula of Chloromethyl acetate is C3H5ClO2.
What is the molecular weight of Chloromethyl acetate?
The molecular weight of Chloromethyl acetate is 108.00 g/mol.
Where can I buy Chloromethyl acetate?
You can request a quote for Chloromethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.