5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester
TL;DR: 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester (CAS 28569-08-6) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-formyl-2,4,6-trimethylpyridine-3-carboxylate
Also Known As: Ethyl 5-formyl-2,4,6-trimethylnicotinate, 5-FORMYL-2,4,6-TRIMETHYL-NICOTINIC ACID ETHYL ESTER, ethyl 5-formyl-2,4,6-trimethylpyridine-3-carboxylate, Ethyl 5-formyl-2,4,6-trimethyl-pyridine-3-carboxylate, 3-Pyridinecarboxylic acid, 5-formyl-2,4,6-trimethyl-, ethyl ester
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.99606 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 438.38028 |
Chemical Identifiers
| CAS Number | 28569-08-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1C)C=O)C)C |
Product Overview
5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester (CAS 28569-08-6), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: ethyl 5-formyl-2,4,6-trimethylpyridine-3-carboxylate.
Chemical Property Profile of 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester
Property Insights of 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester
The XLogP value of 1.99606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester. With a topological polar surface area (TPSA) of 56.26 Ų, 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester 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 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester?
The CAS number of 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester is 28569-08-6.
What is the molecular formula of 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester?
The molecular formula of 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester is C12H15NO3.
What is the molecular weight of 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester?
The molecular weight of 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester is 221.11 g/mol.
Where can I buy 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester?
You can request a quote for 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Formyl-2,4,6-trimethyl-nicotinic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.