Allyl chlorodifluoroacetate
TL;DR: Allyl chlorodifluoroacetate (CAS 118337-48-7) is a chemical compound with molecular formula C5H5ClF2O2 and molecular weight 169.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-chloro-2,2-difluoroacetate
Also Known As: Allyl chlorodifluoroacetate, CHLORO-DIFLUORO-ACETICACIDALLYLESTER, Allyl Chloro(Difluoro)Acetate, Allyl 2-chloro-2,2-difluoroacetate, prop-2-enyl 2-chloro-2,2-difluoroacetate
| Molecular Formula | C5H5ClF2O2 |
|---|---|
| Molecular Weight | 169.99 g/mol |
| LogP | 1.5472 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.99461 |
| Heavy Atoms | 10 |
| Complexity | 141.07361 |
Chemical Identifiers
| CAS Number | 118337-48-7 |
|---|---|
| SMILES | C=CCOC(=O)C(F)(F)Cl |
Product Overview
Allyl chlorodifluoroacetate (CAS 118337-48-7), with molecular formula C5H5ClF2O2 and molecular weight 169.99 g/mol. IUPAC: prop-2-enyl 2-chloro-2,2-difluoroacetate.
Chemical Property Profile of Allyl chlorodifluoroacetate
Property Insights of Allyl chlorodifluoroacetate
The XLogP value of 1.5472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl chlorodifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl chlorodifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl chlorodifluoroacetate 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 Allyl chlorodifluoroacetate?
The CAS number of Allyl chlorodifluoroacetate is 118337-48-7.
What is the molecular formula of Allyl chlorodifluoroacetate?
The molecular formula of Allyl chlorodifluoroacetate is C5H5ClF2O2.
What is the molecular weight of Allyl chlorodifluoroacetate?
The molecular weight of Allyl chlorodifluoroacetate is 169.99 g/mol.
Where can I buy Allyl chlorodifluoroacetate?
You can request a quote for Allyl chlorodifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl chlorodifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl chlorodifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.