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Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate
TL;DR: Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate (CAS 17400-77-0) is a chemical compound with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropanoate
Also Known As: ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate, N-(4,6-dimethyl-pyridin-2-yl)-malonamic acid ethyl ester
| Molecular Formula | C12H16N2O3 |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.11609 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 17400-77-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)NC1=CC(=CC(=N1)C)C |
| InChIKey | MUBBEHQQSQLPIE-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate (CAS 17400-77-0), with molecular formula C12H16N2O3 and molecular weight 236.12 g/mol. IUPAC: ethyl 3-[(4,6-dimethyl-2-pyridinyl)amino]-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate
Property Insights of Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate 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 Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate?
The CAS number of Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate is 17400-77-0.
What is the molecular formula of Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate?
The molecular formula of Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate is C12H16N2O3.
What is the molecular weight of Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate?
The molecular weight of Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate is 236.12 g/mol.
Where can I buy Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate?
You can request a quote for Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(4,6-dimethylpyridin-2-yl)amino]-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.