(5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate
TL;DR: (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate (CAS 27194-74-7) is a chemical compound with molecular formula C11H14FNO2 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-fluoro-3-pyridinyl)methyl 2,2-dimethylpropanoate
Also Known As: 5-Fluor-3-methylpyridyl-pivalinat, (5-Fluor-3-pyridinmethyl)-pivalat, (5-fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate, (5-fluoropyridin-3-yl)methyl pivalate, (5-Fluoro-3-pyridinyl)methyl 2,2-dimethylpropanoate
| Molecular Formula | C11H14FNO2 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.10086 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 27194-74-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCC1=CC(=CN=C1)F |
| InChIKey | RNVUEHVJYAHILP-UHFFFAOYSA-N |
Product Overview
(5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate (CAS 27194-74-7), with molecular formula C11H14FNO2 and molecular weight 211.10 g/mol. IUPAC: (5-fluoro-3-pyridinyl)methyl 2,2-dimethylpropanoate.
Chemical Property Profile of (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate
Property Insights of (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate. With a topological polar surface area (TPSA) of 39.2 Ų, (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate 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 (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate?
The CAS number of (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate is 27194-74-7.
What is the molecular formula of (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate?
The molecular formula of (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate is C11H14FNO2.
What is the molecular weight of (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate?
The molecular weight of (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate is 211.10 g/mol.
Where can I buy (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate?
You can request a quote for (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate 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 2,2-dimethylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.