2-Ethylbutyl pyridine-3-carboxylate
TL;DR: 2-Ethylbutyl pyridine-3-carboxylate (CAS 5429-60-7) 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.
2-ethylbutyl pyridine-3-carboxylate
Also Known As: 2-ethylbutyl pyridine-3-carboxylate, 2-quinazolin-4-ylamino-2-methyl-propane-1,3-diol
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 5429-60-7 |
|---|---|
| SMILES | CCC(CC)COC(=O)C1=CN=CC=C1 |
| InChIKey | WQGPLHPBOSYRQL-UHFFFAOYSA-N |
Product Overview
2-Ethylbutyl pyridine-3-carboxylate (CAS 5429-60-7), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: 2-ethylbutyl pyridine-3-carboxylate.
Chemical Property Profile of 2-Ethylbutyl pyridine-3-carboxylate
Property Insights of 2-Ethylbutyl pyridine-3-carboxylate
The XLogP value of 3.0 indicates that 2-Ethylbutyl pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 2-Ethylbutyl pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbutyl pyridine-3-carboxylate 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-Ethylbutyl pyridine-3-carboxylate?
The CAS number of 2-Ethylbutyl pyridine-3-carboxylate is 5429-60-7.
What is the molecular formula of 2-Ethylbutyl pyridine-3-carboxylate?
The molecular formula of 2-Ethylbutyl pyridine-3-carboxylate is C12H17NO2.
What is the molecular weight of 2-Ethylbutyl pyridine-3-carboxylate?
The molecular weight of 2-Ethylbutyl pyridine-3-carboxylate is 207.13 g/mol.
Where can I buy 2-Ethylbutyl pyridine-3-carboxylate?
You can request a quote for 2-Ethylbutyl pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbutyl pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbutyl pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.