(2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate
TL;DR: (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate (CAS 352536-53-9) is a chemical compound with molecular formula C16H10O4S and molecular weight 298.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate
Also Known As: ChemDiv3_004526, 2-oxo-1,3-benzoxathiol-5-yl 3-phenylacrylate, (2-oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate
| Molecular Formula | C16H10O4S |
|---|---|
| Molecular Weight | 298.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.02997 |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 352536-53-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)OC2=CC3=C(C=C2)OC(=O)S3 |
| InChIKey | WKKDXEOOYDUALD-UHFFFAOYSA-N |
Product Overview
(2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate (CAS 352536-53-9), with molecular formula C16H10O4S and molecular weight 298.03 g/mol. IUPAC: (2-oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate.
Chemical Property Profile of (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate
Property Insights of (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate
The XLogP value of 4.1 indicates that (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate. Following Lipinski's Rule of Five, (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate has 0 hydrogen bond donor(s) and 5 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-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate?
The CAS number of (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate is 352536-53-9.
What is the molecular formula of (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate?
The molecular formula of (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate is C16H10O4S.
What is the molecular weight of (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate?
The molecular weight of (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate is 298.03 g/mol.
Where can I buy (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate?
You can request a quote for (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxo-1,3-benzoxathiol-5-yl) 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.