Guaiacol nicotinate
TL;DR: Guaiacol nicotinate (CAS 15057-98-4) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxyphenyl) pyridine-3-carboxylate
Also Known As: Guaiacol nicotinate, 2-Methoxyphenyl nicotinate, GUAIACYL NICOTINATE, (2-methoxyphenyl) pyridine-3-carboxylate, 2-methoxyphenyl pyridine-3-carboxylate
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 15057-98-4 |
|---|---|
| SMILES | COC1=CC=CC=C1OC(=O)C2=CN=CC=C2 |
| InChIKey | KVPUDAXRVGUATI-UHFFFAOYSA-N |
Product Overview
Guaiacol nicotinate (CAS 15057-98-4), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: (2-methoxyphenyl) pyridine-3-carboxylate.
Chemical Property Profile of Guaiacol nicotinate
Property Insights of Guaiacol nicotinate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Guaiacol nicotinate. With a topological polar surface area (TPSA) of 48.4 Ų, Guaiacol nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Guaiacol nicotinate has 0 hydrogen bond donor(s) and 4 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 Guaiacol nicotinate?
The CAS number of Guaiacol nicotinate is 15057-98-4.
What is the molecular formula of Guaiacol nicotinate?
The molecular formula of Guaiacol nicotinate is C13H11NO3.
What is the molecular weight of Guaiacol nicotinate?
The molecular weight of Guaiacol nicotinate is 229.07 g/mol.
Where can I buy Guaiacol nicotinate?
You can request a quote for Guaiacol nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guaiacol nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Guaiacol nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.