3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one
TL;DR: 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one (CAS 107113-80-4) is a chemical compound with molecular formula C18H21NO2S and molecular weight 315.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-tert-butyl-2-sulfanylidene-3-pyridinyl)-3-hydroxy-1-phenylpropan-1-one
Also Known As: 3-(1-tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one, AE-411/41415628, 3-(1-tert-butyl-2-sulfanylidenepyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one
| Molecular Formula | C18H21NO2S |
|---|---|
| Molecular Weight | 315.13 g/mol |
| LogP | 4.27899 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.1293 |
| Heavy Atoms | 22 |
| Complexity | 713.8573 |
Chemical Identifiers
| CAS Number | 107113-80-4 |
|---|---|
| SMILES | CC(C)(C)N1C=CC=C(C1=S)C(CC(=O)C2=CC=CC=C2)O |
Product Overview
3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one (CAS 107113-80-4), with molecular formula C18H21NO2S and molecular weight 315.13 g/mol. IUPAC: 3-(1-tert-butyl-2-sulfanylidene-3-pyridinyl)-3-hydroxy-1-phenylpropan-1-one.
Chemical Property Profile of 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one
Property Insights of 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one
The XLogP value of 4.27899 indicates that 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one 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-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one 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-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one?
The CAS number of 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one is 107113-80-4.
What is the molecular formula of 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one?
The molecular formula of 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one is C18H21NO2S.
What is the molecular weight of 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one?
The molecular weight of 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one is 315.13 g/mol.
Where can I buy 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one?
You can request a quote for 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-Tert-butyl-2-thioxo-1,2-dihydropyridin-3-yl)-3-hydroxy-1-phenylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.