1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone
TL;DR: 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone (CAS 303995-88-2) is a chemical compound with molecular formula C13H8Cl3NO2 and molecular weight 314.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
Also Known As: 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone, 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone, 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloroethan-1-one, 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1- ethanone, 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-ethanone
| Molecular Formula | C13H8Cl3NO2 |
|---|---|
| Molecular Weight | 314.96 g/mol |
| LogP | 3.7986 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.96207 |
| Heavy Atoms | 19 |
| Complexity | 614.3186 |
Chemical Identifiers
| CAS Number | 303995-88-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl |
Product Overview
1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone (CAS 303995-88-2), with molecular formula C13H8Cl3NO2 and molecular weight 314.96 g/mol. IUPAC: 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloroethanone.
Chemical Property Profile of 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone
Property Insights of 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone
The XLogP value of 3.7986 indicates that 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone 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-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone 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-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone?
The CAS number of 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone is 303995-88-2.
What is the molecular formula of 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone?
The molecular formula of 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone is C13H8Cl3NO2.
What is the molecular weight of 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone?
The molecular weight of 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone is 314.96 g/mol.
Where can I buy 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone?
You can request a quote for 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-benzoyl-1H-pyrrol-2-yl)-2,2,2-trichloro-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.