3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone
TL;DR: 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone (CAS 107113-76-8) is a chemical compound with molecular formula C20H17NO2S and molecular weight 335.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-1-phenyl-3-(1-phenyl-2-sulfanylidene-3-pyridinyl)propan-1-one
Also Known As: 3-hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone, AE-411/41415533, 3-hydroxy-1-phenyl-3-(1-phenyl-2-sulfanylidenepyridin-3-yl)propan-1-one
| Molecular Formula | C20H17NO2S |
|---|---|
| Molecular Weight | 335.10 g/mol |
| LogP | 4.51319 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.098 |
| Heavy Atoms | 24 |
| Complexity | 888.2722 |
Chemical Identifiers
| CAS Number | 107113-76-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(C2=CC=CN(C2=S)C3=CC=CC=C3)O |
Product Overview
3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone (CAS 107113-76-8), with molecular formula C20H17NO2S and molecular weight 335.10 g/mol. IUPAC: 3-hydroxy-1-phenyl-3-(1-phenyl-2-sulfanylidene-3-pyridinyl)propan-1-one.
Chemical Property Profile of 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone
Property Insights of 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone
The XLogP value of 4.51319 indicates that 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone has 1 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 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone?
The CAS number of 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone is 107113-76-8.
What is the molecular formula of 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone?
The molecular formula of 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone is C20H17NO2S.
What is the molecular weight of 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone?
The molecular weight of 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone is 335.10 g/mol.
Where can I buy 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone?
You can request a quote for 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-1-phenyl-3-(1-phenyl-2-thioxo-1,2-dihydro-3-pyridinyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.