Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester
TL;DR: Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester (CAS 25774-02-1) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-oxo-2-phenyl-3-phenylmethoxypropanoic acid
Also Known As: 3-(benzyloxy)-3-oxo-2-phenylpropanoic acid, Monobenzyl Phenylmalonate, Benzyl phenyl malonate, mono-Benzyl 2-phenylmalonate, Phenylmalonic Acid Monobenzyl Ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H14O4 |
| Molecular Weight | 270.0892 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.0892 Da |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)C(=O)O |
| InChIKey | QSBAHMROFICXDC-UHFFFAOYSA-N |
Chemical Property Profile of Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester
Property Insights of Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester
The XLogP value of 3.0 indicates that Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester. Following Lipinski's Rule of Five, Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester?
The CAS number of Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester is 25774-02-1.
What is the molecular formula of Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester?
The molecular formula of Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester is C16H14O4.
What is the molecular weight of Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester?
The molecular weight of Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester is 270.0892 g/mol.
Where can I buy Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester?
You can request a quote for Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester?
Yes, CoreyChem provides custom synthesis services for Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.