5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester
TL;DR: 5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester (CAS 28569-07-5) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(hydroxymethyl)-2,4,6-trimethylpyridine-3-carboxylate
Also Known As: 5-HYDROXYMETHYL-2,4,6-TRIMETHYL-NICOTINIC ACID ETHYL ESTER, ethyl 5-(hydroxymethyl)-2,4,6-trimethylpyridine-3-carboxylate, Ethyl 5-(hydroxymethyl)-2,4,6-trimethyl-pyridine-3-carboxylate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.67586 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 413.21518 |
Chemical Identifiers
| CAS Number | 28569-07-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1C)CO)C)C |
Product Overview
5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester (CAS 28569-07-5), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: ethyl 5-(hydroxymethyl)-2,4,6-trimethylpyridine-3-carboxylate.
Chemical Property Profile of 5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester
Property Insights of 5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester
The XLogP value of 1.67586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester. With a topological polar surface area (TPSA) of 59.42 Ų, 5-Hydroxymethyl-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-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester has 1 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-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester?
The CAS number of 5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester is 28569-07-5.
What is the molecular formula of 5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester?
The molecular formula of 5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester is C12H17NO3.
What is the molecular weight of 5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester?
The molecular weight of 5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester is 223.12 g/mol.
Where can I buy 5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester?
You can request a quote for 5-Hydroxymethyl-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-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxymethyl-2,4,6-trimethyl-nicotinic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.