Difluorooxaloacetate
TL;DR: Difluorooxaloacetate (CAS 2991-85-7) is a chemical compound with molecular formula C4H2F2O5 and molecular weight 167.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-difluoro-3-oxobutanedioic acid
Also Known As: Difluorooxaloacetate, Difluoro-oxaloacetate, Difluorooxo-Butanedioic Acid, difluoro-oxaloacetic acid, Butanedioicacid,difluorooxo-
| Molecular Formula | C4H2F2O5 |
|---|---|
| Molecular Weight | 167.99 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.98703 |
| Heavy Atoms | 11 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 2991-85-7 |
|---|---|
| SMILES | C(=O)(C(=O)O)C(C(=O)O)(F)F |
| InChIKey | PMDMAUJXXISVQM-UHFFFAOYSA-N |
Product Overview
Difluorooxaloacetate (CAS 2991-85-7), with molecular formula C4H2F2O5 and molecular weight 167.99 g/mol. IUPAC: 2,2-difluoro-3-oxobutanedioic acid.
Chemical Property Profile of Difluorooxaloacetate
Property Insights of Difluorooxaloacetate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Difluorooxaloacetate. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Difluorooxaloacetate. Following Lipinski's Rule of Five, Difluorooxaloacetate has 2 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 Difluorooxaloacetate?
The CAS number of Difluorooxaloacetate is 2991-85-7.
What is the molecular formula of Difluorooxaloacetate?
The molecular formula of Difluorooxaloacetate is C4H2F2O5.
What is the molecular weight of Difluorooxaloacetate?
The molecular weight of Difluorooxaloacetate is 167.99 g/mol.
Where can I buy Difluorooxaloacetate?
You can request a quote for Difluorooxaloacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difluorooxaloacetate?
Yes, KEHONG BIO provides custom synthesis services for Difluorooxaloacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.