(2-Oxooxolan-3-yl) benzoate
TL;DR: (2-Oxooxolan-3-yl) benzoate (CAS 25600-23-1) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxooxolan-3-yl) benzoate
Also Known As: (2-oxooxolan-3-yl) benzoate, alpha-(benzoyloxy)-gamma-butyrolactone
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.1589 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 371.43414 |
Chemical Identifiers
| CAS Number | 25600-23-1 |
|---|---|
| SMILES | C1COC(=O)C1OC(=O)C2=CC=CC=C2 |
Product Overview
(2-Oxooxolan-3-yl) benzoate (CAS 25600-23-1), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: (2-oxooxolan-3-yl) benzoate.
Chemical Property Profile of (2-Oxooxolan-3-yl) benzoate
Property Insights of (2-Oxooxolan-3-yl) benzoate
The XLogP value of 1.1589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Oxooxolan-3-yl) benzoate. With a topological polar surface area (TPSA) of 52.6 Ų, (2-Oxooxolan-3-yl) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Oxooxolan-3-yl) benzoate 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
Frequently Asked Questions
What is the CAS number of (2-Oxooxolan-3-yl) benzoate?
The CAS number of (2-Oxooxolan-3-yl) benzoate is 25600-23-1.
What is the molecular formula of (2-Oxooxolan-3-yl) benzoate?
The molecular formula of (2-Oxooxolan-3-yl) benzoate is C11H10O4.
What is the molecular weight of (2-Oxooxolan-3-yl) benzoate?
The molecular weight of (2-Oxooxolan-3-yl) benzoate is 206.06 g/mol.
Where can I buy (2-Oxooxolan-3-yl) benzoate?
You can request a quote for (2-Oxooxolan-3-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Oxooxolan-3-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxooxolan-3-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.