Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate
TL;DR: Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate (CAS 2728-90-7) is a chemical compound with molecular formula C12H18F2O7 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate, 1,5-diethyl 2,4-dideoxy-3-c-(ethoxycarbonyl)-2,4-difluoropentarate, triethyl1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate, 1,2,3-TRIETHYL 1,3-DIFLUORO-2-HYDROXYPROPANE-1,2,3-TRICARBOXYLATE, 1,3-Difluoro-2-hydroxy-1,2,3-propanetricarboxylic acid triethyl ester
| Molecular Formula | C12H18F2O7 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 312.10205 |
| Heavy Atoms | 21 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 2728-90-7 |
|---|---|
| SMILES | CCOC(=O)C(C(C(C(=O)OCC)F)(C(=O)OCC)O)F |
| InChIKey | XMEGHUXSCQCFON-UHFFFAOYSA-N |
Product Overview
Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate (CAS 2728-90-7), with molecular formula C12H18F2O7 and molecular weight 312.10 g/mol. IUPAC: triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate
Property Insights of Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate. Following Lipinski's Rule of Five, Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate has 1 hydrogen bond donor(s) and 9 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 Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate?
The CAS number of Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate is 2728-90-7.
What is the molecular formula of Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate?
The molecular formula of Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate is C12H18F2O7.
What is the molecular weight of Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate?
The molecular weight of Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate is 312.10 g/mol.
Where can I buy Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate?
You can request a quote for Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Triethyl 1,3-difluoro-2-hydroxypropane-1,2,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.