Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester
TL;DR: Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester (CAS 379-95-3) is a chemical compound with molecular formula C5H6F2O4 and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,2-difluoropropanedioate
Also Known As: Dimethyl difluoromalonate, Dimethyl difluoropropanedioate, dimethyl 2,2-difluoropropanedioate, Dimethyldifluoromalonate, 1,3-dimethyl 2,2-difluoropropanedioate
| Molecular Formula | C5H6F2O4 |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.02342 |
| Heavy Atoms | 11 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 379-95-3 |
|---|---|
| SMILES | COC(=O)C(C(=O)OC)(F)F |
| InChIKey | NHTZDSRSPCFQCJ-UHFFFAOYSA-N |
Product Overview
Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester (CAS 379-95-3), with molecular formula C5H6F2O4 and molecular weight 168.02 g/mol. IUPAC: dimethyl 2,2-difluoropropanedioate.
Chemical Property Profile of Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester
Property Insights of Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester has 0 hydrogen bond donor(s) and 6 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 Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester?
The CAS number of Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester is 379-95-3.
What is the molecular formula of Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester?
The molecular formula of Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester is C5H6F2O4.
What is the molecular weight of Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester?
The molecular weight of Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester is 168.02 g/mol.
Where can I buy Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester?
You can request a quote for Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.