3-(Tris(phenylthio)methyl)cyclopentanone
TL;DR: 3-(Tris(phenylthio)methyl)cyclopentanone (CAS 69814-17-1) is a chemical compound with molecular formula C24H22OS3 and molecular weight 422.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[tris(phenylsulfanyl)methyl]cyclopentan-1-one
Also Known As: 3-(Tris(phenylthio)methyl)cyclopentanone, Cyclopentanone,3-[tris(phenylthio)methyl]-, 3-[tris(phenylsulfanyl)methyl]cyclopentan-1-one, 3-[tris(phenylsulfanyl)methyl]cyclopentanone
| Molecular Formula | C24H22OS3 |
|---|---|
| Molecular Weight | 422.08 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.08328 |
| Heavy Atoms | 28 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 69814-17-1 |
|---|---|
| SMILES | C1CC(=O)CC1C(SC2=CC=CC=C2)(SC3=CC=CC=C3)SC4=CC=CC=C4 |
| InChIKey | USIKWNLYPYOUFY-UHFFFAOYSA-N |
Product Overview
3-(Tris(phenylthio)methyl)cyclopentanone (CAS 69814-17-1), with molecular formula C24H22OS3 and molecular weight 422.08 g/mol. IUPAC: 3-[tris(phenylsulfanyl)methyl]cyclopentan-1-one.
Chemical Property Profile of 3-(Tris(phenylthio)methyl)cyclopentanone
Property Insights of 3-(Tris(phenylthio)methyl)cyclopentanone
The XLogP value of 7.0 indicates that 3-(Tris(phenylthio)methyl)cyclopentanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Tris(phenylthio)methyl)cyclopentanone. Following Lipinski's Rule of Five, 3-(Tris(phenylthio)methyl)cyclopentanone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Tris(phenylthio)methyl)cyclopentanone?
The CAS number of 3-(Tris(phenylthio)methyl)cyclopentanone is 69814-17-1.
What is the molecular formula of 3-(Tris(phenylthio)methyl)cyclopentanone?
The molecular formula of 3-(Tris(phenylthio)methyl)cyclopentanone is C24H22OS3.
What is the molecular weight of 3-(Tris(phenylthio)methyl)cyclopentanone?
The molecular weight of 3-(Tris(phenylthio)methyl)cyclopentanone is 422.08 g/mol.
Where can I buy 3-(Tris(phenylthio)methyl)cyclopentanone?
You can request a quote for 3-(Tris(phenylthio)methyl)cyclopentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Tris(phenylthio)methyl)cyclopentanone?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tris(phenylthio)methyl)cyclopentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.