2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one
TL;DR: 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one (CAS 876401-89-7) is a chemical compound with molecular formula C12H9F2NOS and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-difluorophenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone
Also Known As: 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one, 2-(3,4-difluorophenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone
| Molecular Formula | C12H9F2NOS |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 3.2679 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.0373 |
| Heavy Atoms | 17 |
| Complexity | 525.3068 |
Chemical Identifiers
| CAS Number | 876401-89-7 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)CSC2=CC(=C(C=C2)F)F |
Product Overview
2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one (CAS 876401-89-7), with molecular formula C12H9F2NOS and molecular weight 253.04 g/mol. IUPAC: 2-(3,4-difluorophenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one
Property Insights of 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one
The XLogP value of 3.2679 indicates that 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one has 1 hydrogen bond donor(s) and 2 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 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The CAS number of 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one is 876401-89-7.
What is the molecular formula of 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The molecular formula of 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one is C12H9F2NOS.
What is the molecular weight of 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The molecular weight of 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one is 253.04 g/mol.
Where can I buy 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
You can request a quote for 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.