Dimethyl 3-oxobutan-2-yl phosphate
TL;DR: Dimethyl 3-oxobutan-2-yl phosphate (CAS 19147-10-5) is a chemical compound with molecular formula C6H13O5P and molecular weight 196.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-oxobutan-2-yl phosphate
Also Known As: dimethyl 3-oxobutan-2-yl phosphate, PERSITOL HEPTAACETATE, NCIOpen2_000685, Phosphoricacid, dimethyl 1-methyl-2-oxopropyl ester
| Molecular Formula | C6H13O5P |
|---|---|
| Molecular Weight | 196.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.05006 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 19147-10-5 |
|---|---|
| SMILES | CC(C(=O)C)OP(=O)(OC)OC |
| InChIKey | PLJDUJXOUQCUTR-UHFFFAOYSA-N |
Product Overview
Dimethyl 3-oxobutan-2-yl phosphate (CAS 19147-10-5), with molecular formula C6H13O5P and molecular weight 196.05 g/mol. IUPAC: dimethyl 3-oxobutan-2-yl phosphate.
Chemical Property Profile of Dimethyl 3-oxobutan-2-yl phosphate
Property Insights of Dimethyl 3-oxobutan-2-yl phosphate
The XLogP value of -0.3 indicates that Dimethyl 3-oxobutan-2-yl phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-oxobutan-2-yl phosphate. Following Lipinski's Rule of Five, Dimethyl 3-oxobutan-2-yl phosphate 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 Dimethyl 3-oxobutan-2-yl phosphate?
The CAS number of Dimethyl 3-oxobutan-2-yl phosphate is 19147-10-5.
What is the molecular formula of Dimethyl 3-oxobutan-2-yl phosphate?
The molecular formula of Dimethyl 3-oxobutan-2-yl phosphate is C6H13O5P.
What is the molecular weight of Dimethyl 3-oxobutan-2-yl phosphate?
The molecular weight of Dimethyl 3-oxobutan-2-yl phosphate is 196.05 g/mol.
Where can I buy Dimethyl 3-oxobutan-2-yl phosphate?
You can request a quote for Dimethyl 3-oxobutan-2-yl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-oxobutan-2-yl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-oxobutan-2-yl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.