苯甲酸1-(3-吡啶基)乙酯
TL;DR: 苯甲酸1-(3-吡啶基)乙酯 (CAS 67031-82-7) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲酸1-(3-吡啶基)乙酯
1-pyridin-3-ylethyl benzoate
Also Known As: beta-Pyridylmethyl carbinyl benzoate, 1-pyridin-3-ylethyl benzoate, 1-(3-Pyridyl)ethyl=benzoate, 1-(Pyridin-3-yl)ethyl benzoate, BENZOIC ACID, 1-(3-PYRIDYL)ETHYL ESTER
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 67031-82-7 |
|---|---|
| SMILES | CC(C1=CN=CC=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | PLSNYBSMHHRQBN-UHFFFAOYSA-N |
Product Overview
苯甲酸1-(3-吡啶基)乙酯 (CAS 67031-82-7), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: 1-pyridin-3-ylethyl benzoate.
Chemical Property Profile of 苯甲酸1-(3-吡啶基)乙酯
Property Insights of 苯甲酸1-(3-吡啶基)乙酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲酸1-(3-吡啶基)乙酯. With a topological polar surface area (TPSA) of 39.2 Ų, 苯甲酸1-(3-吡啶基)乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲酸1-(3-吡啶基)乙酯 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 苯甲酸1-(3-吡啶基)乙酯?
The CAS number of 苯甲酸1-(3-吡啶基)乙酯 is 67031-82-7.
What is the molecular formula of 苯甲酸1-(3-吡啶基)乙酯?
The molecular formula of 苯甲酸1-(3-吡啶基)乙酯 is C14H13NO2.
What is the molecular weight of 苯甲酸1-(3-吡啶基)乙酯?
The molecular weight of 苯甲酸1-(3-吡啶基)乙酯 is 227.09 g/mol.
Where can I buy 苯甲酸1-(3-吡啶基)乙酯?
You can request a quote for 苯甲酸1-(3-吡啶基)乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲酸1-(3-吡啶基)乙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯甲酸1-(3-吡啶基)乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.