3,7-Bis(phenylthio)cyclooctanone
TL;DR: 3,7-Bis(phenylthio)cyclooctanone (CAS 5334-40-7) is a chemical compound with molecular formula C20H22OS2 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-bis(phenylsulfanyl)cyclooctan-1-one
Also Known As: 3,7-Bis(phenylthio)cyclooctanone, Cyclooctanone, 3,7-bis(phenylthio)-, 3,7-bis(phenylsulfanyl)cyclooctan-1-one
| Molecular Formula | C20H22OS2 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.1112 |
| Heavy Atoms | 23 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 5334-40-7 |
|---|---|
| SMILES | C1CC(CC(=O)CC(C1)SC2=CC=CC=C2)SC3=CC=CC=C3 |
| InChIKey | GEMMUOIDVLFCQD-UHFFFAOYSA-N |
Product Overview
3,7-Bis(phenylthio)cyclooctanone (CAS 5334-40-7), with molecular formula C20H22OS2 and molecular weight 342.11 g/mol. IUPAC: 3,7-bis(phenylsulfanyl)cyclooctan-1-one.
Chemical Property Profile of 3,7-Bis(phenylthio)cyclooctanone
Property Insights of 3,7-Bis(phenylthio)cyclooctanone
The XLogP value of 5.3 indicates that 3,7-Bis(phenylthio)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 3,7-Bis(phenylthio)cyclooctanone. Following Lipinski's Rule of Five, 3,7-Bis(phenylthio)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 3,7-Bis(phenylthio)cyclooctanone?
The CAS number of 3,7-Bis(phenylthio)cyclooctanone is 5334-40-7.
What is the molecular formula of 3,7-Bis(phenylthio)cyclooctanone?
The molecular formula of 3,7-Bis(phenylthio)cyclooctanone is C20H22OS2.
What is the molecular weight of 3,7-Bis(phenylthio)cyclooctanone?
The molecular weight of 3,7-Bis(phenylthio)cyclooctanone is 342.11 g/mol.
Where can I buy 3,7-Bis(phenylthio)cyclooctanone?
You can request a quote for 3,7-Bis(phenylthio)cyclooctanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Bis(phenylthio)cyclooctanone?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Bis(phenylthio)cyclooctanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.