3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone
TL;DR: 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone (CAS 69814-16-0) is a chemical compound with molecular formula C29H26OS3 and molecular weight 486.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-phenyl-4,4,4-tris(phenylsulfanyl)butan-1-one
Also Known As: 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone, 3-methyl-1-phenyl-4,4,4-tris(phenylsulfanyl)butan-1-one, 1-Butanone,3-methyl-1-phenyl-4,4,4-tris(phenylthio)-, 1-BUTANONE, 3-METHYL-1-PHENYL-4,4,4-TRIS(PHENYLTHIO)-
| Molecular Formula | C29H26OS3 |
|---|---|
| Molecular Weight | 486.11 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 486.1146 |
| Heavy Atoms | 33 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 69814-16-0 |
|---|---|
| SMILES | CC(CC(=O)C1=CC=CC=C1)C(SC2=CC=CC=C2)(SC3=CC=CC=C3)SC4=CC=CC=C4 |
| InChIKey | YZOLQTKVCMCPKT-UHFFFAOYSA-N |
Product Overview
3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone (CAS 69814-16-0), with molecular formula C29H26OS3 and molecular weight 486.11 g/mol. IUPAC: 3-methyl-1-phenyl-4,4,4-tris(phenylsulfanyl)butan-1-one.
Chemical Property Profile of 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone
Property Insights of 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone
The XLogP value of 9.0 indicates that 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone 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-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone. Following Lipinski's Rule of Five, 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone 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-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone?
The CAS number of 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone is 69814-16-0.
What is the molecular formula of 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone?
The molecular formula of 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone is C29H26OS3.
What is the molecular weight of 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone?
The molecular weight of 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone is 486.11 g/mol.
Where can I buy 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone?
You can request a quote for 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-phenyl-4,4,4-tris(phenylthio)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.