Ethyl 2-(3-methylpyridin-4-yl)butanoate
TL;DR: Ethyl 2-(3-methylpyridin-4-yl)butanoate (CAS 79757-11-2) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methyl-4-pyridinyl)butanoate
Also Known As: ethyl 2-(3-methylpyridin-4-yl)butanoate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 79757-11-2 |
|---|---|
| SMILES | CCC(C1=C(C=NC=C1)C)C(=O)OCC |
| InChIKey | KTHKRYZDPSKKCU-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-methylpyridin-4-yl)butanoate (CAS 79757-11-2), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 2-(3-methyl-4-pyridinyl)butanoate.
Chemical Property Profile of Ethyl 2-(3-methylpyridin-4-yl)butanoate
Property Insights of Ethyl 2-(3-methylpyridin-4-yl)butanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-methylpyridin-4-yl)butanoate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 2-(3-methylpyridin-4-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(3-methylpyridin-4-yl)butanoate has 0 hydrogen bond donor(s) and 3 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 Ethyl 2-(3-methylpyridin-4-yl)butanoate?
The CAS number of Ethyl 2-(3-methylpyridin-4-yl)butanoate is 79757-11-2.
What is the molecular formula of Ethyl 2-(3-methylpyridin-4-yl)butanoate?
The molecular formula of Ethyl 2-(3-methylpyridin-4-yl)butanoate is C12H17NO2.
What is the molecular weight of Ethyl 2-(3-methylpyridin-4-yl)butanoate?
The molecular weight of Ethyl 2-(3-methylpyridin-4-yl)butanoate is 207.13 g/mol.
Where can I buy Ethyl 2-(3-methylpyridin-4-yl)butanoate?
You can request a quote for Ethyl 2-(3-methylpyridin-4-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-methylpyridin-4-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-methylpyridin-4-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.