![1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one structure](/static/products/896/896334-84-2.png)
1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one
TL;DR: 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one (CAS 896334-84-2) is a chemical compound with molecular formula C21H19F2NO3S and molecular weight 403.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-[2-(difluoromethylsulfanyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
Also Known As: F2548-0144, 1'-(2-((difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one, 1'-[o-(difluoromethylthio)benzoyl]spiro[chroman-2,4'-piperidin]-4-one, 1'-{2-[(difluoromethyl)sulfanyl]benzoyl}-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one, 1'-[2-(difluoromethylsulfanyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
| Molecular Formula | C21H19F2NO3S |
|---|---|
| Molecular Weight | 403.11 g/mol |
| LogP | 4.6415 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.10538 |
| Heavy Atoms | 28 |
| Complexity | 910.0286 |
Chemical Identifiers
| CAS Number | 896334-84-2 |
|---|---|
| SMILES | C1CN(CCC12CC(=O)C3=CC=CC=C3O2)C(=O)C4=CC=CC=C4SC(F)F |
Product Overview
1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one (CAS 896334-84-2), with molecular formula C21H19F2NO3S and molecular weight 403.11 g/mol. IUPAC: 1'-[2-(difluoromethylsulfanyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
Chemical Property Profile of 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one
Property Insights of 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one
The XLogP value of 4.6415 indicates that 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one has 0 hydrogen bond donor(s) and 4 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'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one?
The CAS number of 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one is 896334-84-2.
What is the molecular formula of 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one?
The molecular formula of 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one is C21H19F2NO3S.
What is the molecular weight of 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one?
The molecular weight of 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one is 403.11 g/mol.
Where can I buy 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one?
You can request a quote for 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1'-(2-((Difluoromethyl)thio)benzoyl)spiro[chroman-2,4'-piperidin]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.