2-Pyridinylmethyl butyrate
TL;DR: 2-Pyridinylmethyl butyrate (CAS 74050-93-4) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridin-2-ylmethyl butanoate
Also Known As: 2-Butyroxymethylpyridine, 2-Pyridinemethanol, butyrate, 2-Pyridinylmethyl butyrate, pyridin-2-ylmethyl butanoate, Butanoic acid, 2-pyridinylmethyl ester
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 74050-93-4 |
|---|---|
| SMILES | CCCC(=O)OCC1=CC=CC=N1 |
| InChIKey | VTMMEMGFKVSPFG-UHFFFAOYSA-N |
Product Overview
2-Pyridinylmethyl butyrate (CAS 74050-93-4), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: pyridin-2-ylmethyl butanoate.
Chemical Property Profile of 2-Pyridinylmethyl butyrate
Property Insights of 2-Pyridinylmethyl butyrate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridinylmethyl butyrate. With a topological polar surface area (TPSA) of 39.2 Ų, 2-Pyridinylmethyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyridinylmethyl butyrate 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 2-Pyridinylmethyl butyrate?
The CAS number of 2-Pyridinylmethyl butyrate is 74050-93-4.
What is the molecular formula of 2-Pyridinylmethyl butyrate?
The molecular formula of 2-Pyridinylmethyl butyrate is C10H13NO2.
What is the molecular weight of 2-Pyridinylmethyl butyrate?
The molecular weight of 2-Pyridinylmethyl butyrate is 179.09 g/mol.
Where can I buy 2-Pyridinylmethyl butyrate?
You can request a quote for 2-Pyridinylmethyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridinylmethyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridinylmethyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.