1-Phenanthridin-6-ylthioacetone
TL;DR: 1-Phenanthridin-6-ylthioacetone (CAS 13896-98-5) is a chemical compound with molecular formula C16H13NOS and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenanthridin-6-ylsulfanylpropan-2-one
Also Known As: 1-phenanthridin-6-ylthioacetone, 6-Acetonylmercapto-phenanthridin, 1-phenanthridin-6-ylsulfanylpropan-2-one, KST-1B0364, 1-(phenanthridin-6-ylsulfanyl)propan-2-one
| Molecular Formula | C16H13NOS |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.07178 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 13896-98-5 |
|---|---|
| SMILES | CC(=O)CSC1=NC2=CC=CC=C2C3=CC=CC=C31 |
| InChIKey | NCJVVJWBMVXPIT-UHFFFAOYSA-N |
Product Overview
1-Phenanthridin-6-ylthioacetone (CAS 13896-98-5), with molecular formula C16H13NOS and molecular weight 267.07 g/mol. IUPAC: 1-phenanthridin-6-ylsulfanylpropan-2-one.
Chemical Property Profile of 1-Phenanthridin-6-ylthioacetone
Property Insights of 1-Phenanthridin-6-ylthioacetone
The XLogP value of 4.0 indicates that 1-Phenanthridin-6-ylthioacetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.3 Ų, 1-Phenanthridin-6-ylthioacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenanthridin-6-ylthioacetone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Phenanthridin-6-ylthioacetone?
The CAS number of 1-Phenanthridin-6-ylthioacetone is 13896-98-5.
What is the molecular formula of 1-Phenanthridin-6-ylthioacetone?
The molecular formula of 1-Phenanthridin-6-ylthioacetone is C16H13NOS.
What is the molecular weight of 1-Phenanthridin-6-ylthioacetone?
The molecular weight of 1-Phenanthridin-6-ylthioacetone is 267.07 g/mol.
Where can I buy 1-Phenanthridin-6-ylthioacetone?
You can request a quote for 1-Phenanthridin-6-ylthioacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenanthridin-6-ylthioacetone?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenanthridin-6-ylthioacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.