(E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate
TL;DR: (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate (CAS 3708-07-4) is a chemical compound with molecular formula C16H14O4S and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-methylsulfonyl-1-phenylethenyl] benzoate
Also Known As: (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate, (E)-2-(Methanesulfonyl)-1-phenylethen-1-yl benzoate
| Molecular Formula | C16H14O4S |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 2.8866 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.06128 |
| Heavy Atoms | 21 |
| Complexity | 747.37866 |
Chemical Identifiers
| CAS Number | 3708-07-4 |
|---|---|
| SMILES | CS(=O)(=O)/C=C(\C1=CC=CC=C1)/OC(=O)C2=CC=CC=C2 |
Product Overview
(E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate (CAS 3708-07-4), with molecular formula C16H14O4S and molecular weight 302.06 g/mol. IUPAC: [(E)-2-methylsulfonyl-1-phenylethenyl] benzoate.
Chemical Property Profile of (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate
Property Insights of (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate
The XLogP value of 2.8866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate. Following Lipinski's Rule of Five, (E)-2-(Methanesulfonyl)-1-phenylethenyl 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 (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate?
The CAS number of (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate is 3708-07-4.
What is the molecular formula of (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate?
The molecular formula of (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate is C16H14O4S.
What is the molecular weight of (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate?
The molecular weight of (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate is 302.06 g/mol.
Where can I buy (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate?
You can request a quote for (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(Methanesulfonyl)-1-phenylethenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.