![Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate structure](/static/products/810/81012-82-0.png)
Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate
TL;DR: Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate (CAS 81012-82-0) is a chemical compound with molecular formula C12H17FO7 and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1-acetyloxy-2-methylpropyl)-2-fluoro-3-oxobutanedioate
Also Known As: dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate, DIMETHYL 2-(1-ACETYLOXY-2-METHYL-PROPYL)-2-FLUORO-3-OXO-BUTANEDIOATE, dimethyl 2-(1-acetyloxy-2-methylpropyl)-2-fluoro-3-oxobutanedioate, Butanedioic acid,2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxo-, 1,4-dimethyl ester
| Molecular Formula | C12H17FO7 |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 292.09583 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 81012-82-0 |
|---|---|
| SMILES | CC(C)C(C(C(=O)C(=O)OC)(C(=O)OC)F)OC(=O)C |
| InChIKey | RSYSWZRHRYIUNQ-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate (CAS 81012-82-0), with molecular formula C12H17FO7 and molecular weight 292.10 g/mol. IUPAC: dimethyl 2-(1-acetyloxy-2-methylpropyl)-2-fluoro-3-oxobutanedioate.
Chemical Property Profile of Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate
Property Insights of Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate. Following Lipinski's Rule of Five, Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate has 0 hydrogen bond donor(s) and 8 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 Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate?
The CAS number of Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate is 81012-82-0.
What is the molecular formula of Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate?
The molecular formula of Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate is C12H17FO7.
What is the molecular weight of Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate?
The molecular weight of Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate is 292.10 g/mol.
Where can I buy Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate?
You can request a quote for Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[1-(acetyloxy)-2-methylpropyl]-2-fluoro-3-oxobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.