Bis(4-methylphenacyl) sulfide
TL;DR: Bis(4-methylphenacyl) sulfide (CAS 23080-22-0) is a chemical compound with molecular formula C18H18O2S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylethanone
Also Known As: Bis(4-methylphenacyl) sulfide, 2- -1-P-TOLYL-ETHANONE, Ethanone,2,2-thiobis[1-(4-methylphenyl)-, 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylethanone, J2.506.424K
| Molecular Formula | C18H18O2S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.10275 |
| Heavy Atoms | 21 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 23080-22-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSCC(=O)C2=CC=C(C=C2)C |
| InChIKey | KPEQAIKDILGKSR-UHFFFAOYSA-N |
Product Overview
Bis(4-methylphenacyl) sulfide (CAS 23080-22-0), with molecular formula C18H18O2S and molecular weight 298.10 g/mol. IUPAC: 1-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylethanone.
Chemical Property Profile of Bis(4-methylphenacyl) sulfide
Property Insights of Bis(4-methylphenacyl) sulfide
The XLogP value of 4.4 indicates that Bis(4-methylphenacyl) sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, Bis(4-methylphenacyl) sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(4-methylphenacyl) sulfide 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 Bis(4-methylphenacyl) sulfide?
The CAS number of Bis(4-methylphenacyl) sulfide is 23080-22-0.
What is the molecular formula of Bis(4-methylphenacyl) sulfide?
The molecular formula of Bis(4-methylphenacyl) sulfide is C18H18O2S.
What is the molecular weight of Bis(4-methylphenacyl) sulfide?
The molecular weight of Bis(4-methylphenacyl) sulfide is 298.10 g/mol.
Where can I buy Bis(4-methylphenacyl) sulfide?
You can request a quote for Bis(4-methylphenacyl) sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-methylphenacyl) sulfide?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-methylphenacyl) sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.