3-Fluoropropane-1,2-diyl diacetate
TL;DR: 3-Fluoropropane-1,2-diyl diacetate (CAS 62522-74-1) is a chemical compound with molecular formula C7H11FO4 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-3-fluoropropyl) acetate
Also Known As: Fluorodeoxyglyceroldiacetate, 1,2-Diacetoxy-3-fluoropropane, 1-Fluoromethyl-1,2-ethanediol diacetate, (2-acetyloxy-3-fluoropropyl) acetate, 3-Fluoropropane-1,2-diyl diacetate
| Molecular Formula | C7H11FO4 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 0.4507 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.06413 |
| Heavy Atoms | 12 |
| Complexity | 168.7893 |
Chemical Identifiers
| CAS Number | 62522-74-1 |
|---|---|
| SMILES | CC(=O)OCC(CF)OC(=O)C |
Product Overview
3-Fluoropropane-1,2-diyl diacetate (CAS 62522-74-1), with molecular formula C7H11FO4 and molecular weight 178.06 g/mol. IUPAC: (2-acetyloxy-3-fluoropropyl) acetate.
Chemical Property Profile of 3-Fluoropropane-1,2-diyl diacetate
Property Insights of 3-Fluoropropane-1,2-diyl diacetate
The XLogP value of 0.4507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoropropane-1,2-diyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Fluoropropane-1,2-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoropropane-1,2-diyl diacetate 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 3-Fluoropropane-1,2-diyl diacetate?
The CAS number of 3-Fluoropropane-1,2-diyl diacetate is 62522-74-1.
What is the molecular formula of 3-Fluoropropane-1,2-diyl diacetate?
The molecular formula of 3-Fluoropropane-1,2-diyl diacetate is C7H11FO4.
What is the molecular weight of 3-Fluoropropane-1,2-diyl diacetate?
The molecular weight of 3-Fluoropropane-1,2-diyl diacetate is 178.06 g/mol.
Where can I buy 3-Fluoropropane-1,2-diyl diacetate?
You can request a quote for 3-Fluoropropane-1,2-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoropropane-1,2-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoropropane-1,2-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.