1-苯基苯乙酮基硫醚
TL;DR: 1-苯基苯乙酮基硫醚 (CAS 106991-84-8) is a chemical compound with molecular formula C28H22O2S and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-苯基苯乙酮基硫醚
2-(2-oxo-1,2-diphenylethyl)sulfanyl-1,2-diphenylethanone
Also Known As: desyl sulfide, 1-PHENYLPHENACYL SULFIDE, 2-(2-oxo-1,2-diphenylethyl)sulfanyl-1,2-diphenylethanone, 2-[(2-oxo-1,2-diphenylethyl)sulfanyl]-1,2-diphenylethan-1-one, 662-863-5
| Molecular Formula | C28H22O2S |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.13406 |
| Heavy Atoms | 31 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 106991-84-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4 |
| InChIKey | RJCISMJZIFOITC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-苯基苯乙酮基硫醚 (CAS 106991-84-8), with molecular formula C28H22O2S and molecular weight 422.13 g/mol. IUPAC: 2-(2-oxo-1,2-diphenylethyl)sulfanyl-1,2-diphenylethanone.
Chemical Property Profile of 1-苯基苯乙酮基硫醚
Property Insights of 1-苯基苯乙酮基硫醚
The XLogP value of 7.1 indicates that 1-苯基苯乙酮基硫醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, 1-苯基苯乙酮基硫醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-苯基苯乙酮基硫醚 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-苯基苯乙酮基硫醚?
The CAS number of 1-苯基苯乙酮基硫醚 is 106991-84-8.
What is the molecular formula of 1-苯基苯乙酮基硫醚?
The molecular formula of 1-苯基苯乙酮基硫醚 is C28H22O2S.
What is the molecular weight of 1-苯基苯乙酮基硫醚?
The molecular weight of 1-苯基苯乙酮基硫醚 is 422.13 g/mol.
Where can I buy 1-苯基苯乙酮基硫醚?
You can request a quote for 1-苯基苯乙酮基硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-苯基苯乙酮基硫醚?
Yes, KEHONG BIO provides custom synthesis services for 1-苯基苯乙酮基硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.