![3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate structure](/static/products/6478/647825-60-3.webp)
3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate
TL;DR: 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate (CAS 647825-60-3) is a chemical compound with molecular formula C12H13FO4 and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(acetyloxymethyl)-2-fluorophenyl]methyl acetate
Also Known As: 3-[(acetyloxy)methyl]-2-fluorobenzyl acetate, [3-(acetyloxymethyl)-2-fluorophenyl]methyl acetate, {3-[(acetyloxy)methyl]-2-fluorophenyl}methyl acetate
| Molecular Formula | C12H13FO4 |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 1.9519 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.07979 |
| Heavy Atoms | 17 |
| Complexity | 392.26385 |
Chemical Identifiers
| CAS Number | 647825-60-3 |
|---|---|
| SMILES | CC(=O)OCC1=C(C(=CC=C1)COC(=O)C)F |
Product Overview
3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate (CAS 647825-60-3), with molecular formula C12H13FO4 and molecular weight 240.08 g/mol. IUPAC: [3-(acetyloxymethyl)-2-fluorophenyl]methyl acetate.
Chemical Property Profile of 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate
Property Insights of 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate
The XLogP value of 1.9519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate 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-[(Acetyloxy)methyl]-2-fluorobenzyl acetate?
The CAS number of 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate is 647825-60-3.
What is the molecular formula of 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate?
The molecular formula of 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate is C12H13FO4.
What is the molecular weight of 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate?
The molecular weight of 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate is 240.08 g/mol.
Where can I buy 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate?
You can request a quote for 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Acetyloxy)methyl]-2-fluorobenzyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.