2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one
TL;DR: 2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one (CAS 853337-03-8) is a chemical compound with molecular formula C12H10BrNOS and molecular weight 294.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone
Also Known As: 2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one, 2-(4-bromophenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone
| Molecular Formula | C12H10BrNOS |
|---|---|
| Molecular Weight | 294.97 g/mol |
| LogP | 3.7522 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.96664 |
| Heavy Atoms | 16 |
| Complexity | 464.2738 |
Chemical Identifiers
| CAS Number | 853337-03-8 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)CSC2=CC=C(C=C2)Br |
Product Overview
2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one (CAS 853337-03-8), with molecular formula C12H10BrNOS and molecular weight 294.97 g/mol. IUPAC: 2-(4-bromophenyl)sulfanyl-1-(1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one
Property Insights of 2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one
The XLogP value of 3.7522 indicates that 2-((4-Bromophenyl)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-((4-Bromophenyl)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-((4-Bromophenyl)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-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The CAS number of 2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one is 853337-03-8.
What is the molecular formula of 2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The molecular formula of 2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one is C12H10BrNOS.
What is the molecular weight of 2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
The molecular weight of 2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one is 294.97 g/mol.
Where can I buy 2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
You can request a quote for 2-((4-Bromophenyl)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-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Bromophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.