![1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate structure](/static/products/4778/477859-76-0.webp)
1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate
TL;DR: 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate (CAS 477859-76-0) is a chemical compound with molecular formula C11H9ClF3NO4 and molecular weight 311.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate
Also Known As: 2-[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINYL]-MALONIC ACID DIMETHYL ESTER, 2- -MALONICACIDDIMETHYLESTER, Dimethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)malonate, dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]malonate, dimethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate
| Molecular Formula | C11H9ClF3NO4 |
|---|---|
| Molecular Weight | 311.02 g/mol |
| LogP | 2.1834 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0172 |
| Heavy Atoms | 20 |
| Complexity | 516.8898 |
Chemical Identifiers
| CAS Number | 477859-76-0 |
|---|---|
| SMILES | COC(=O)C(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)OC |
Product Overview
1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate (CAS 477859-76-0), with molecular formula C11H9ClF3NO4 and molecular weight 311.02 g/mol. IUPAC: dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate.
Chemical Property Profile of 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate
Property Insights of 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate
The XLogP value of 2.1834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate. Following Lipinski's Rule of Five, 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate has 0 hydrogen bond donor(s) and 5 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 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate?
The CAS number of 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate is 477859-76-0.
What is the molecular formula of 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate?
The molecular formula of 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate is C11H9ClF3NO4.
What is the molecular weight of 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate?
The molecular weight of 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate is 311.02 g/mol.
Where can I buy 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate?
You can request a quote for 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.