Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester
TL;DR: Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester (CAS 113591-76-7) is a chemical compound with molecular formula C5H5F3O4S and molecular weight 217.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2,2-difluoro-2-fluorosulfonylacetate
Also Known As: allyl fluorosulfonyldifluoroacetate, Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester, Prop-2-en-1-yl difluoro(fluorosulfonyl)acetate, prop-2-enyl 2,2-difluoro-2-fluorosulfonylacetate, Prop-2-enyl 2,2-difluoro-2-fluorosulfonyl-acetate
| Molecular Formula | C5H5F3O4S |
|---|---|
| Molecular Weight | 217.99 g/mol |
| LogP | 0.6077 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.98607 |
| Heavy Atoms | 13 |
| Complexity | 307.74118 |
Chemical Identifiers
| CAS Number | 113591-76-7 |
|---|---|
| SMILES | C=CCOC(=O)C(F)(F)S(=O)(=O)F |
Product Overview
Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester (CAS 113591-76-7), with molecular formula C5H5F3O4S and molecular weight 217.99 g/mol. IUPAC: prop-2-enyl 2,2-difluoro-2-fluorosulfonylacetate.
Chemical Property Profile of Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester
Property Insights of Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester
The XLogP value of 0.6077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester. Following Lipinski's Rule of Five, Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester 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 Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester?
The CAS number of Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester is 113591-76-7.
What is the molecular formula of Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester?
The molecular formula of Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester is C5H5F3O4S.
What is the molecular weight of Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester?
The molecular weight of Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester is 217.99 g/mol.
Where can I buy Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester?
You can request a quote for Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, difluoro(fluorosulfonyl)-, 2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.