Methyl chlorodifluoroacetate
TL;DR: Methyl chlorodifluoroacetate (CAS 1514-87-0) is a chemical compound with molecular formula C3H3ClF2O2 and molecular weight 143.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-2,2-difluoroacetate
Also Known As: Methyl chlorodifluoroacetate, Methyl 2-chloro-2,2-difluoroacetate, Chlorodifluoroacetic Acid Methyl Ester, methyl chloro(difluoro)acetate, ClCF2COOMe
| Molecular Formula | C3H3ClF2O2 |
|---|---|
| Molecular Weight | 143.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 143.97896 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 1514-87-0 |
|---|---|
| SMILES | COC(=O)C(F)(F)Cl |
| InChIKey | AWUPLMYXZJKHEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl chlorodifluoroacetate (CAS 1514-87-0), with molecular formula C3H3ClF2O2 and molecular weight 143.98 g/mol. IUPAC: methyl 2-chloro-2,2-difluoroacetate.
Chemical Property Profile of Methyl chlorodifluoroacetate
Property Insights of Methyl chlorodifluoroacetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl chlorodifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl chlorodifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl chlorodifluoroacetate 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 Methyl chlorodifluoroacetate?
The CAS number of Methyl chlorodifluoroacetate is 1514-87-0.
What is the molecular formula of Methyl chlorodifluoroacetate?
The molecular formula of Methyl chlorodifluoroacetate is C3H3ClF2O2.
What is the molecular weight of Methyl chlorodifluoroacetate?
The molecular weight of Methyl chlorodifluoroacetate is 143.98 g/mol.
Where can I buy Methyl chlorodifluoroacetate?
You can request a quote for Methyl chlorodifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl chlorodifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl chlorodifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.