![[4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate structure](/static/products/3314/331460-71-0.webp)
[4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate
TL;DR: [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate (CAS 331460-71-0) is a chemical compound with molecular formula C17H16O4S and molecular weight 316.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate
Also Known As: [4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate, 1-(4-methylphenyl)-3-(4-methylsulfonyloxyphenyl)prop-2-en-1-one, 4-[(E)-3-(4-methylphenyl)-3-oxo-1-propenyl]phenyl methanesulfonate
| Molecular Formula | C17H16O4S |
|---|---|
| Molecular Weight | 316.08 g/mol |
| LogP | 3.22952 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.07693 |
| Heavy Atoms | 22 |
| Complexity | 785.5575 |
Chemical Identifiers
| CAS Number | 331460-71-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OS(=O)(=O)C |
Product Overview
[4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate (CAS 331460-71-0), with molecular formula C17H16O4S and molecular weight 316.08 g/mol. IUPAC: [4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate.
Chemical Property Profile of [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate
Property Insights of [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate
The XLogP value of 3.22952 indicates that [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate. Following Lipinski's Rule of Five, [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate 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 [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate?
The CAS number of [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate is 331460-71-0.
What is the molecular formula of [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate?
The molecular formula of [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate is C17H16O4S.
What is the molecular weight of [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate?
The molecular weight of [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate is 316.08 g/mol.
Where can I buy [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate?
You can request a quote for [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-(4-Methylphenyl)-3-oxoprop-1-enyl]phenyl] methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.