2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one
TL;DR: 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one (CAS 183268-72-6) is a chemical compound with molecular formula C7H6Cl3NO and molecular weight 224.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethanone
Also Known As: 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethanone, 2,2,2-Trichloro-1-(5-methyl-1h-pyrrol-2-yl)ethan-1-one, 2-Methyl-5-(trichloroacetyl)-1H-pyrrole, AQ-387/42302652, J2.426.368A
| Molecular Formula | C7H6Cl3NO |
|---|---|
| Molecular Weight | 224.95 g/mol |
| LogP | 2.87602 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.95149 |
| Heavy Atoms | 12 |
| Complexity | 299.84528 |
Chemical Identifiers
| CAS Number | 183268-72-6 |
|---|---|
| SMILES | CC1=CC=C(N1)C(=O)C(Cl)(Cl)Cl |
Product Overview
2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one (CAS 183268-72-6), with molecular formula C7H6Cl3NO and molecular weight 224.95 g/mol. IUPAC: 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one
Property Insights of 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one
The XLogP value of 2.87602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one. With a topological polar surface area (TPSA) of 32.86 Ų, 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one has 1 hydrogen bond donor(s) and 1 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 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one?
The CAS number of 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one is 183268-72-6.
What is the molecular formula of 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one?
The molecular formula of 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one is C7H6Cl3NO.
What is the molecular weight of 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one?
The molecular weight of 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one is 224.95 g/mol.
Where can I buy 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one?
You can request a quote for 2,2,2-trichloro-1-(5-methyl-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 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trichloro-1-(5-methyl-1H-pyrrol-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.