2-(6-Phenanthridinylthio)-1-phenylethanone
TL;DR: 2-(6-Phenanthridinylthio)-1-phenylethanone (CAS 13896-97-4) is a chemical compound with molecular formula C21H15NOS and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenanthridin-6-ylsulfanyl-1-phenylethanone
Also Known As: NCIStruc1_001451, NCIStruc2_001152, 2-(6-phenanthridinylthio)-1-phenylethanone, 2-phenanthridin-6-ylsulfanyl-1-phenylethanone, NCI60_042212
| Molecular Formula | C21H15NOS |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.08743 |
| Heavy Atoms | 24 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 13896-97-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C4=CC=CC=C42 |
| InChIKey | QRANKYBGAVSGHQ-UHFFFAOYSA-N |
Product Overview
2-(6-Phenanthridinylthio)-1-phenylethanone (CAS 13896-97-4), with molecular formula C21H15NOS and molecular weight 329.09 g/mol. IUPAC: 2-phenanthridin-6-ylsulfanyl-1-phenylethanone.
Chemical Property Profile of 2-(6-Phenanthridinylthio)-1-phenylethanone
Property Insights of 2-(6-Phenanthridinylthio)-1-phenylethanone
The XLogP value of 5.7 indicates that 2-(6-Phenanthridinylthio)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, 2-(6-Phenanthridinylthio)-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Phenanthridinylthio)-1-phenylethanone 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-(6-Phenanthridinylthio)-1-phenylethanone?
The CAS number of 2-(6-Phenanthridinylthio)-1-phenylethanone is 13896-97-4.
What is the molecular formula of 2-(6-Phenanthridinylthio)-1-phenylethanone?
The molecular formula of 2-(6-Phenanthridinylthio)-1-phenylethanone is C21H15NOS.
What is the molecular weight of 2-(6-Phenanthridinylthio)-1-phenylethanone?
The molecular weight of 2-(6-Phenanthridinylthio)-1-phenylethanone is 329.09 g/mol.
Where can I buy 2-(6-Phenanthridinylthio)-1-phenylethanone?
You can request a quote for 2-(6-Phenanthridinylthio)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Phenanthridinylthio)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Phenanthridinylthio)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.