1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone
TL;DR: 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone (CAS 56003-69-1) is a chemical compound with molecular formula C34H28OS3 and molecular weight 548.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diphenyl-4,4,4-tris(phenylsulfanyl)butan-1-one
Also Known As: 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone, 1,3-diphenyl-4,4,4-tris(phenylsulfanyl)butan-1-one, Guanosine-5'-triphosphoric aicd disodium salt
| Molecular Formula | C34H28OS3 |
|---|---|
| Molecular Weight | 548.13 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 548.13025 |
| Heavy Atoms | 38 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 56003-69-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(SC3=CC=CC=C3)(SC4=CC=CC=C4)SC5=CC=CC=C5 |
| InChIKey | HWKMIABADJGBCB-UHFFFAOYSA-N |
Product Overview
1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone (CAS 56003-69-1), with molecular formula C34H28OS3 and molecular weight 548.13 g/mol. IUPAC: 1,3-diphenyl-4,4,4-tris(phenylsulfanyl)butan-1-one.
Chemical Property Profile of 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone
Property Insights of 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone
The XLogP value of 10.0 indicates that 1,3-Diphenyl-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 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone. Following Lipinski's Rule of Five, 1,3-Diphenyl-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 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone?
The CAS number of 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone is 56003-69-1.
What is the molecular formula of 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone?
The molecular formula of 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone is C34H28OS3.
What is the molecular weight of 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone?
The molecular weight of 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone is 548.13 g/mol.
Where can I buy 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone?
You can request a quote for 1,3-Diphenyl-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 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diphenyl-4,4,4-tris(phenylthio)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.