溴蟲腈
TL;DR: 溴蟲腈 (CAS 122453-73-0) is a chemical compound with molecular formula C15H11BrClF3N2O and molecular weight 405.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
溴蟲腈
4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
Also Known As: Chlorfenapyr, Pirate, Kotetsu, Pylon, Pirate 3F
| Molecular Formula | C15H11BrClF3N2O |
|---|---|
| Molecular Weight | 405.97 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 38.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.96954 |
| Heavy Atoms | 23 |
| Complexity | 448.0 |
| Melting Point | 100-101 °C |
| Density | 0.543 g/ml tapped bulk density |
| Solubility | Soluble in acetone, diethyl ether, DMSO, THF, acetonitrile, alcohols. Insoluble in water |
| Vapor Pressure | 0.00000007 [mmHg] |
Chemical Identifiers
| CAS Number | 122453-73-0 |
|---|---|
| SMILES | CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl |
| InChIKey | CWFOCCVIPCEQCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
溴蟲腈 (CAS 122453-73-0), with molecular formula C15H11BrClF3N2O and molecular weight 405.97 g/mol. IUPAC: 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile.
Chemical Property Profile of 溴蟲腈
Property Insights of 溴蟲腈
The XLogP value of 4.5 indicates that 溴蟲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.0 Ų, 溴蟲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 溴蟲腈 has 0 hydrogen bond donor(s) and 5 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 溴蟲腈?
The CAS number of 溴蟲腈 is 122453-73-0.
What is the molecular formula of 溴蟲腈?
The molecular formula of 溴蟲腈 is C15H11BrClF3N2O.
What is the molecular weight of 溴蟲腈?
The molecular weight of 溴蟲腈 is 405.97 g/mol.
Where can I buy 溴蟲腈?
You can request a quote for 溴蟲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 溴蟲腈?
Yes, KEHONG BIO provides custom synthesis services for 溴蟲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.