Tralopyril
TL;DR: Tralopyril (CAS 122454-29-9) is a chemical compound with molecular formula C12H5BrClF3N2 and molecular weight 347.92767 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
Also Known As: Tralopyril, Econea, Tralopyril [ISO], 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile, 6,11-Eicosadienoic acid
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H5BrClF3N2 |
| Molecular Weight | 347.92767 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.92767 Da |
| Heavy Atoms | 19 |
| Complexity | 373.0 |
| SMILES | C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)Br)C#N)Cl |
| InChIKey | XNFIRYXKTXAHAC-UHFFFAOYSA-N |
Chemical Property Profile of Tralopyril
Property Insights of Tralopyril
The XLogP value of 4.3 indicates that Tralopyril is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.6 Ų, Tralopyril exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tralopyril has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tralopyril?
The CAS number of Tralopyril is 122454-29-9.
What is the molecular formula of Tralopyril?
The molecular formula of Tralopyril is C12H5BrClF3N2.
What is the molecular weight of Tralopyril?
The molecular weight of Tralopyril is 347.92767 g/mol.
Where can I buy Tralopyril?
You can request a quote for Tralopyril directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tralopyril?
Yes, CoreyChem provides custom synthesis services for Tralopyril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.