Ethyl 2,6-dimethylnicotinate
TL;DR: Ethyl 2,6-dimethylnicotinate (CAS 1721-13-7) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,6-dimethylpyridine-3-carboxylate
Also Known As: ethyl 2,6-dimethylnicotinate, 2,6-DIMETHYL-NICOTINIC ACID ETHYL ESTER, ethyl 2,6-dimethylpyridine-3-carboxylate, Ethyl 2,6-dimethyl nicotinate, 19-Norprogesterone
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 1721-13-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C=C1)C)C |
| InChIKey | IDTTVGCBBDITAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,6-dimethylnicotinate (CAS 1721-13-7), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: ethyl 2,6-dimethylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 2,6-dimethylnicotinate
Property Insights of Ethyl 2,6-dimethylnicotinate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,6-dimethylnicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 2,6-dimethylnicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,6-dimethylnicotinate 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 Ethyl 2,6-dimethylnicotinate?
The CAS number of Ethyl 2,6-dimethylnicotinate is 1721-13-7.
What is the molecular formula of Ethyl 2,6-dimethylnicotinate?
The molecular formula of Ethyl 2,6-dimethylnicotinate is C10H13NO2.
What is the molecular weight of Ethyl 2,6-dimethylnicotinate?
The molecular weight of Ethyl 2,6-dimethylnicotinate is 179.09 g/mol.
Where can I buy Ethyl 2,6-dimethylnicotinate?
You can request a quote for Ethyl 2,6-dimethylnicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,6-dimethylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,6-dimethylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.