Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate
TL;DR: Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate (CAS 91326-83-9) is a chemical compound with molecular formula C13H14O6 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate
Also Known As: (-)-Dimethyl 2,3-O-benzylidene-l-tartrate, Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate, (+)-Dimethyl 2,3-O-benzylidene-D-tartrate, DIMETHYL 2,3-O-BENZYLIDENE-L-TARTRATE, J2.544.888J
| Molecular Formula | C13H14O6 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.07904 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 91326-83-9 |
|---|---|
| SMILES | COC(=O)C1C(OC(O1)C2=CC=CC=C2)C(=O)OC |
| InChIKey | FMSYNRGOFIGJMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate (CAS 91326-83-9), with molecular formula C13H14O6 and molecular weight 266.08 g/mol. IUPAC: dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate.
Chemical Property Profile of Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate
Property Insights of Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate 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 Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate?
The CAS number of Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate is 91326-83-9.
What is the molecular formula of Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate?
The molecular formula of Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate is C13H14O6.
What is the molecular weight of Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate?
The molecular weight of Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate is 266.08 g/mol.
Where can I buy Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate?
You can request a quote for Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-phenyl-1,3-dioxolane-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.