2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone
TL;DR: 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone (CAS 52186-07-9) is a chemical compound with molecular formula C36H38OS2 and molecular weight 550.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8-bis[benzylsulfanyl(phenyl)methyl]cyclooctan-1-one
Also Known As: 2,8-Bis( cyclooctanone, 2,8-Bis((alpha-benzylthio)benzyl)cyclooctanone, 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone, 2,8-bis[benzylsulfanyl(phenyl)methyl]cyclooctan-1-one, Cyclooctanone, 2,8-bis(phenyl((phenylmethyl)thio)methyl)-
| Molecular Formula | C36H38OS2 |
|---|---|
| Molecular Weight | 550.24 g/mol |
| LogP | 9.4 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 550.2364 |
| Heavy Atoms | 39 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 52186-07-9 |
|---|---|
| SMILES | C1CCC(C(=O)C(CC1)C(C2=CC=CC=C2)SCC3=CC=CC=C3)C(C4=CC=CC=C4)SCC5=CC=CC=C5 |
| InChIKey | WFTHCABRNZQUMS-UHFFFAOYSA-N |
Product Overview
2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone (CAS 52186-07-9), with molecular formula C36H38OS2 and molecular weight 550.24 g/mol. IUPAC: 2,8-bis[benzylsulfanyl(phenyl)methyl]cyclooctan-1-one.
Chemical Property Profile of 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone
Property Insights of 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone
The XLogP value of 9.4 indicates that 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone. Following Lipinski's Rule of Five, 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone 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 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone?
The CAS number of 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone is 52186-07-9.
What is the molecular formula of 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone?
The molecular formula of 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone is C36H38OS2.
What is the molecular weight of 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone?
The molecular weight of 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone is 550.24 g/mol.
Where can I buy 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone?
You can request a quote for 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone?
Yes, KEHONG BIO provides custom synthesis services for 2,8-Bis(phenyl((phenylmethyl)thio)methyl)cyclooctanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.