4-Methoxyphenyl nicotinate
TL;DR: 4-Methoxyphenyl nicotinate (CAS 3468-30-2) 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.
(4-methoxyphenyl) pyridine-3-carboxylate
Also Known As: 4-methoxyphenyl nicotinate, (4-methoxyphenyl) pyridine-3-carboxylate, 1-Methoxy-4-nicotinoyloxy-benzol, Nicotinic acid, 4-methoxyphenyl ester, 3-Pyridinecarboxylic acid, 4-methoxyphenyl ester
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.4 |
| 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 | 249.0 |
Chemical Identifiers
| CAS Number | 3468-30-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)C2=CN=CC=C2 |
| InChIKey | YKRYFWGYMGFVCO-UHFFFAOYSA-N |
Product Overview
4-Methoxyphenyl nicotinate (CAS 3468-30-2), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: (4-methoxyphenyl) pyridine-3-carboxylate.
Chemical Property Profile of 4-Methoxyphenyl nicotinate
Property Insights of 4-Methoxyphenyl nicotinate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxyphenyl nicotinate. With a topological polar surface area (TPSA) of 48.4 Ų, 4-Methoxyphenyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxyphenyl 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 4-Methoxyphenyl nicotinate?
The CAS number of 4-Methoxyphenyl nicotinate is 3468-30-2.
What is the molecular formula of 4-Methoxyphenyl nicotinate?
The molecular formula of 4-Methoxyphenyl nicotinate is C13H11NO3.
What is the molecular weight of 4-Methoxyphenyl nicotinate?
The molecular weight of 4-Methoxyphenyl nicotinate is 229.07 g/mol.
Where can I buy 4-Methoxyphenyl nicotinate?
You can request a quote for 4-Methoxyphenyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxyphenyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyphenyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.