(5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate
TL;DR: (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate (CAS 4404-60-8) is a chemical compound with molecular formula C13H10F2N2O2 and molecular weight 264.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-fluoro-3-pyridinyl)methyl 2-(5-fluoro-3-pyridinyl)acetate
Also Known As: (5-Fluoro-3-pyridinyl)methyl 5-fluoro-3-pyridineacetate, (5-fluoropyridin-3-yl)methyl(5-fluoropyridin-3-yl)acetate, (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate, Octadecanoic acid,(5-fluoro-3-pyridinyl)methyl ester, 3-Pyridineacetic acid, 5-fluoro-, (5-fluoro-3-pyridinyl)methyl ester
| Molecular Formula | C13H10F2N2O2 |
|---|---|
| Molecular Weight | 264.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.07104 |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 4404-60-8 |
|---|---|
| SMILES | C1=C(C=NC=C1F)CC(=O)OCC2=CC(=CN=C2)F |
| InChIKey | JPENMDFPKXDLSG-UHFFFAOYSA-N |
Product Overview
(5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate (CAS 4404-60-8), with molecular formula C13H10F2N2O2 and molecular weight 264.07 g/mol. IUPAC: (5-fluoro-3-pyridinyl)methyl 2-(5-fluoro-3-pyridinyl)acetate.
Chemical Property Profile of (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate
Property Insights of (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate. With a topological polar surface area (TPSA) of 52.1 Ų, (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate has 0 hydrogen bond donor(s) and 6 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 (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate?
The CAS number of (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate is 4404-60-8.
What is the molecular formula of (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate?
The molecular formula of (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate is C13H10F2N2O2.
What is the molecular weight of (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate?
The molecular weight of (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate is 264.07 g/mol.
Where can I buy (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate?
You can request a quote for (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (5-Fluoropyridin-3-yl)methyl (5-fluoropyridin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.