1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one
TL;DR: 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one (CAS 111468-91-8) is a chemical compound with molecular formula C10H10Cl3NO2 and molecular weight 280.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]butan-1-one
Also Known As: 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one, Heptafluorobutyric anhydride, trichloroacetylpyrrolylbutanone, 1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-1-butanone, 1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]butan-1-one
| Molecular Formula | C10H10Cl3NO2 |
|---|---|
| Molecular Weight | 280.98 g/mol |
| LogP | 3.5504 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.97772 |
| Heavy Atoms | 16 |
| Complexity | 406.4418 |
Chemical Identifiers
| CAS Number | 111468-91-8 |
|---|---|
| SMILES | CCCC(=O)C1=CNC(=C1)C(=O)C(Cl)(Cl)Cl |
Product Overview
1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one (CAS 111468-91-8), with molecular formula C10H10Cl3NO2 and molecular weight 280.98 g/mol. IUPAC: 1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]butan-1-one.
Chemical Property Profile of 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one
Property Insights of 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one
The XLogP value of 3.5504 indicates that 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.93 Ų, 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-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 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one?
The CAS number of 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one is 111468-91-8.
What is the molecular formula of 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one?
The molecular formula of 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one is C10H10Cl3NO2.
What is the molecular weight of 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one?
The molecular weight of 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one is 280.98 g/mol.
Where can I buy 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one?
You can request a quote for 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-(2,2,2-Trichloroacetyl)-1H-pyrrol-3-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.