Tralopyril
TL;DR: Tralopyril (CAS 122454-29-9) is a chemical compound with molecular formula C12H5BrClF3N2 and molecular weight 347.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H5BrClF3N2 |
|---|---|
| Molecular Weight | 347.93 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.92767 |
| Heavy Atoms | 19 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 122454-29-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)Br)C#N)Cl |
| InChIKey | XNFIRYXKTXAHAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tralopyril (CAS 122454-29-9), with molecular formula C12H5BrClF3N2 and molecular weight 347.93 g/mol. IUPAC: 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile.
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
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 347.93 g/mol.
Where can I buy Tralopyril?
You can request a quote for Tralopyril directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tralopyril?
Yes, KEHONG BIO provides custom synthesis services for Tralopyril and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.