![2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one structure](/static/products/7906/790681-72-0.webp)
2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one
TL;DR: 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one (CAS 790681-72-0) is a chemical compound with molecular formula C15H15ClFNO and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: 2-chloro-1-[1-(4-fluorobenzyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone, 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one, 2-chloro-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone, 2-Chloro-1-[1-(4-fluorobenzyl)-2,5-dimethyl-3-pyrrolyl]ethanone, 2-Chloro-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
| Molecular Formula | C15H15ClFNO |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 3.71384 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.0826 |
| Heavy Atoms | 19 |
| Complexity | 601.3533 |
Chemical Identifiers
| CAS Number | 790681-72-0 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=C(C=C2)F)C)C(=O)CCl |
Product Overview
2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one (CAS 790681-72-0), with molecular formula C15H15ClFNO and molecular weight 279.08 g/mol. IUPAC: 2-chloro-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one
Property Insights of 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one
The XLogP value of 3.71384 indicates that 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-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 22.0 Ų, 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one has 0 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-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one?
The CAS number of 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one is 790681-72-0.
What is the molecular formula of 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one?
The molecular formula of 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one is C15H15ClFNO.
What is the molecular weight of 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one?
The molecular weight of 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one is 279.08 g/mol.
Where can I buy 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one?
You can request a quote for 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-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-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-1-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.