烟酸苄酯
TL;DR: 烟酸苄酯 (CAS 94-44-0) is a chemical compound with molecular formula C13H11NO2 and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟酸苄酯
benzyl pyridine-3-carboxylate
Also Known As: Benzyl nicotinate, Nicotinic acid benzyl ester, Rubriment, Pycaril, Pykaryl
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 94-44-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CN=CC=C2 |
| InChIKey | KVYGGMBOZFWZBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
烟酸苄酯 (CAS 94-44-0), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: benzyl pyridine-3-carboxylate.
Chemical Property Profile of 烟酸苄酯
Property Insights of 烟酸苄酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烟酸苄酯. With a topological polar surface area (TPSA) of 39.2 Ų, 烟酸苄酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烟酸苄酯 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 烟酸苄酯?
The CAS number of 烟酸苄酯 is 94-44-0.
What is the molecular formula of 烟酸苄酯?
The molecular formula of 烟酸苄酯 is C13H11NO2.
What is the molecular weight of 烟酸苄酯?
The molecular weight of 烟酸苄酯 is 213.08 g/mol.
Where can I buy 烟酸苄酯?
You can request a quote for 烟酸苄酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟酸苄酯?
Yes, KEHONG BIO provides custom synthesis services for 烟酸苄酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.