![2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester structure](/static/products/493/493029-93-9.png)
2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester
TL;DR: 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester (CAS 493029-93-9) is a chemical compound with molecular formula C9H11FO5S and molecular weight 250.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[fluoro(2-oxopropylsulfanyl)methylidene]propanedioate
Also Known As: dimethyl 2-(fluoro((2-oxopropyl)thio)methylene)malonate, 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester, dimethyl {fluoro[(2-oxopropyl)sulfanyl]methylidene}propanedioate, Dimethyl 2-(fluoro[(2-oxopropyl)sulfanyl]methylene)malonate #, dimethyl 2-[fluoro(2-oxopropylsulfanyl)methylidene]propanedioate
| Molecular Formula | C9H11FO5S |
|---|---|
| Molecular Weight | 250.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.03113 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 493029-93-9 |
|---|---|
| SMILES | CC(=O)CSC(=C(C(=O)OC)C(=O)OC)F |
| InChIKey | GEHOYPIDMKSELP-UHFFFAOYSA-N |
Product Overview
2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester (CAS 493029-93-9), with molecular formula C9H11FO5S and molecular weight 250.03 g/mol. IUPAC: dimethyl 2-[fluoro(2-oxopropylsulfanyl)methylidene]propanedioate.
Chemical Property Profile of 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester
Property Insights of 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester. Following Lipinski's Rule of Five, 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester has 0 hydrogen bond donor(s) and 7 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 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester?
The CAS number of 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester is 493029-93-9.
What is the molecular formula of 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester?
The molecular formula of 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester is C9H11FO5S.
What is the molecular weight of 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester?
The molecular weight of 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester is 250.03 g/mol.
Where can I buy 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester?
You can request a quote for 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[Fluoro-(2-oxo-propylsulfanyl)-methylene]-malonic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.