3-Mercapto-1,3-diphenylprop-2-en-1-one
TL;DR: 3-Mercapto-1,3-diphenylprop-2-en-1-one (CAS 65581-07-9) is a chemical compound with molecular formula C15H12OS and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diphenyl-3-sulfanylprop-2-en-1-one
Also Known As: NCIOpen2_007149, 1,3-diphenyl-3-sulfanylprop-2-en-1-one, 3-mercapto-1,3-diphenylprop-2-en-1-one, 2-Propen-1-one,3-mercapto-1,3-diphenyl-, 2-Propene-1-thione, 3-hydroxy-1,3-diphenyl-
| Molecular Formula | C15H12OS |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.06088 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 65581-07-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)S |
| InChIKey | BCISFAAIAMNOIC-UHFFFAOYSA-N |
Product Overview
3-Mercapto-1,3-diphenylprop-2-en-1-one (CAS 65581-07-9), with molecular formula C15H12OS and molecular weight 240.06 g/mol. IUPAC: 1,3-diphenyl-3-sulfanylprop-2-en-1-one.
Chemical Property Profile of 3-Mercapto-1,3-diphenylprop-2-en-1-one
Property Insights of 3-Mercapto-1,3-diphenylprop-2-en-1-one
The XLogP value of 3.6 indicates that 3-Mercapto-1,3-diphenylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.1 Ų, 3-Mercapto-1,3-diphenylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercapto-1,3-diphenylprop-2-en-1-one has 1 hydrogen bond donor(s) and 2 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 3-Mercapto-1,3-diphenylprop-2-en-1-one?
The CAS number of 3-Mercapto-1,3-diphenylprop-2-en-1-one is 65581-07-9.
What is the molecular formula of 3-Mercapto-1,3-diphenylprop-2-en-1-one?
The molecular formula of 3-Mercapto-1,3-diphenylprop-2-en-1-one is C15H12OS.
What is the molecular weight of 3-Mercapto-1,3-diphenylprop-2-en-1-one?
The molecular weight of 3-Mercapto-1,3-diphenylprop-2-en-1-one is 240.06 g/mol.
Where can I buy 3-Mercapto-1,3-diphenylprop-2-en-1-one?
You can request a quote for 3-Mercapto-1,3-diphenylprop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercapto-1,3-diphenylprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercapto-1,3-diphenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.