Butanedioic acid, mono(2-phenylethyl) ester
TL;DR: Butanedioic acid, mono(2-phenylethyl) ester (CAS 153824-41-0) is a chemical compound with molecular formula C12H13O4- and molecular weight 221.08139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-4-(2-phenylethoxy)butanoate
Also Known As: 4-oxo-4-phenethyloxybutanoate, 4-oxo-4-phenethyloxy-butanoate, Butanedioic acid, mono(2-phenylethyl) ester
Technical Specifications
| Molecular Formula | C12H13O4- |
| Molecular Weight | 221.08139 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.08139 Da |
| Heavy Atoms | 16 |
| Complexity | 226.0 |
| SMILES | C1=CC=C(C=C1)CCOC(=O)CCC(=O)[O-] |
| InChIKey | IRVZRNOWHCEDRV-UHFFFAOYSA-M |
Chemical Property Profile of Butanedioic acid, mono(2-phenylethyl) ester
Property Insights of Butanedioic acid, mono(2-phenylethyl) ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, mono(2-phenylethyl) ester. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, mono(2-phenylethyl) ester. Following Lipinski's Rule of Five, Butanedioic acid, mono(2-phenylethyl) ester has 0 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 Butanedioic acid, mono(2-phenylethyl) ester?
The CAS number of Butanedioic acid, mono(2-phenylethyl) ester is 153824-41-0.
What is the molecular formula of Butanedioic acid, mono(2-phenylethyl) ester?
The molecular formula of Butanedioic acid, mono(2-phenylethyl) ester is C12H13O4-.
What is the molecular weight of Butanedioic acid, mono(2-phenylethyl) ester?
The molecular weight of Butanedioic acid, mono(2-phenylethyl) ester is 221.08139 g/mol.
Where can I buy Butanedioic acid, mono(2-phenylethyl) ester?
You can request a quote for Butanedioic acid, mono(2-phenylethyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanedioic acid, mono(2-phenylethyl) ester?
Yes, CoreyChem provides custom synthesis services for Butanedioic acid, mono(2-phenylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.