Ethyl 4-chloro-2,6-dimethylnicotinate
TL;DR: Ethyl 4-chloro-2,6-dimethylnicotinate (CAS 90646-72-3) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-2,6-dimethylpyridine-3-carboxylate
Also Known As: ethyl 4-chloro-2,6-dimethylnicotinate, Mariptiline, ethyl 4-chloro-2,6-dimethylpyridine-3-carboxylate, Ethyl4-chloro-2,6-dimethylnicotinate, 4-chloro-2,6-dimethylnicotinic acid ethylate
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 90646-72-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(N=C1C)C)Cl |
| InChIKey | KBTAWKCADOMPGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-chloro-2,6-dimethylnicotinate (CAS 90646-72-3), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: ethyl 4-chloro-2,6-dimethylpyridine-3-carboxylate.
Chemical Property Profile of Ethyl 4-chloro-2,6-dimethylnicotinate
Property Insights of Ethyl 4-chloro-2,6-dimethylnicotinate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-2,6-dimethylnicotinate. With a topological polar surface area (TPSA) of 39.2 Ų, Ethyl 4-chloro-2,6-dimethylnicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-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 4-chloro-2,6-dimethylnicotinate?
The CAS number of Ethyl 4-chloro-2,6-dimethylnicotinate is 90646-72-3.
What is the molecular formula of Ethyl 4-chloro-2,6-dimethylnicotinate?
The molecular formula of Ethyl 4-chloro-2,6-dimethylnicotinate is C10H12ClNO2.
What is the molecular weight of Ethyl 4-chloro-2,6-dimethylnicotinate?
The molecular weight of Ethyl 4-chloro-2,6-dimethylnicotinate is 213.06 g/mol.
Where can I buy Ethyl 4-chloro-2,6-dimethylnicotinate?
You can request a quote for Ethyl 4-chloro-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 4-chloro-2,6-dimethylnicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-2,6-dimethylnicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.