Ethyl 2-(1-benzyl-2-pyridinylidene)acetate
TL;DR: Ethyl 2-(1-benzyl-2-pyridinylidene)acetate (CAS 36688-59-2) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-benzyl-2-pyridinylidene)acetate
Also Known As: ethyl 2-(1-benzylpyridin-2-ylidene)acetate, ethyl 2-[1-benzyl-2(1H)-pyridinyliden]acetate
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 36688-59-2 |
|---|---|
| SMILES | CCOC(=O)C=C1C=CC=CN1CC2=CC=CC=C2 |
| InChIKey | BKKUQXOEIMAPEU-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(1-benzyl-2-pyridinylidene)acetate (CAS 36688-59-2), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: ethyl 2-(1-benzyl-2-pyridinylidene)acetate.
Chemical Property Profile of Ethyl 2-(1-benzyl-2-pyridinylidene)acetate
Property Insights of Ethyl 2-(1-benzyl-2-pyridinylidene)acetate
The XLogP value of 3.3 indicates that Ethyl 2-(1-benzyl-2-pyridinylidene)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 2-(1-benzyl-2-pyridinylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(1-benzyl-2-pyridinylidene)acetate 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-(1-benzyl-2-pyridinylidene)acetate?
The CAS number of Ethyl 2-(1-benzyl-2-pyridinylidene)acetate is 36688-59-2.
What is the molecular formula of Ethyl 2-(1-benzyl-2-pyridinylidene)acetate?
The molecular formula of Ethyl 2-(1-benzyl-2-pyridinylidene)acetate is C16H17NO2.
What is the molecular weight of Ethyl 2-(1-benzyl-2-pyridinylidene)acetate?
The molecular weight of Ethyl 2-(1-benzyl-2-pyridinylidene)acetate is 255.13 g/mol.
Where can I buy Ethyl 2-(1-benzyl-2-pyridinylidene)acetate?
You can request a quote for Ethyl 2-(1-benzyl-2-pyridinylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(1-benzyl-2-pyridinylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(1-benzyl-2-pyridinylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.