苯基2-苯基乙烯磺酸酯
TL;DR: 苯基2-苯基乙烯磺酸酯 (CAS 13719-31-8) is a chemical compound with molecular formula C14H12O3S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯基2-苯基乙烯磺酸酯
phenyl 2-phenylethenesulfonate
Also Known As: phenyl 2-phenylethenesulfonate
| Molecular Formula | C14H12O3S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.05072 |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 13719-31-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CS(=O)(=O)OC2=CC=CC=C2 |
| InChIKey | MIQFBVNMSNEFFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯基2-苯基乙烯磺酸酯 (CAS 13719-31-8), with molecular formula C14H12O3S and molecular weight 260.05 g/mol. IUPAC: phenyl 2-phenylethenesulfonate.
Chemical Property Profile of 苯基2-苯基乙烯磺酸酯
Property Insights of 苯基2-苯基乙烯磺酸酯
The XLogP value of 3.4 indicates that 苯基2-苯基乙烯磺酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 苯基2-苯基乙烯磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯基2-苯基乙烯磺酸酯 has 0 hydrogen bond donor(s) and 3 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 苯基2-苯基乙烯磺酸酯?
The CAS number of 苯基2-苯基乙烯磺酸酯 is 13719-31-8.
What is the molecular formula of 苯基2-苯基乙烯磺酸酯?
The molecular formula of 苯基2-苯基乙烯磺酸酯 is C14H12O3S.
What is the molecular weight of 苯基2-苯基乙烯磺酸酯?
The molecular weight of 苯基2-苯基乙烯磺酸酯 is 260.05 g/mol.
Where can I buy 苯基2-苯基乙烯磺酸酯?
You can request a quote for 苯基2-苯基乙烯磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基2-苯基乙烯磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 苯基2-苯基乙烯磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.