BW 5 (pesticide)
TL;DR: BW 5 (pesticide) (CAS 116397-85-4) is a chemical compound with molecular formula C14H11ClFN3O3 and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-3,5-dimethyl-4-nitropyrazole
Also Known As: BW 5 (pesticide), BW 5, KST-1A9984, HK 1502, 1-[4-chloro-2-fluoro-5-(2-propyn-1-yloxy)phenyl]-3,5-dimethyl-4-nitro-1h-pyrazole
| Molecular Formula | C14H11ClFN3O3 |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.0473 |
| Heavy Atoms | 22 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 116397-85-4 |
|---|---|
| SMILES | CC1=C(C(=NN1C2=CC(=C(C=C2F)Cl)OCC#C)C)[N+](=O)[O-] |
| InChIKey | ICQKSILUWVAZSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BW 5 (pesticide) (CAS 116397-85-4), with molecular formula C14H11ClFN3O3 and molecular weight 323.05 g/mol. IUPAC: 1-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-3,5-dimethyl-4-nitropyrazole.
Chemical Property Profile of BW 5 (pesticide)
Property Insights of BW 5 (pesticide)
The XLogP value of 3.3 indicates that BW 5 (pesticide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BW 5 (pesticide). Following Lipinski's Rule of Five, BW 5 (pesticide) 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 BW 5 (pesticide)?
The CAS number of BW 5 (pesticide) is 116397-85-4.
What is the molecular formula of BW 5 (pesticide)?
The molecular formula of BW 5 (pesticide) is C14H11ClFN3O3.
What is the molecular weight of BW 5 (pesticide)?
The molecular weight of BW 5 (pesticide) is 323.05 g/mol.
Where can I buy BW 5 (pesticide)?
You can request a quote for BW 5 (pesticide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BW 5 (pesticide)?
Yes, KEHONG BIO provides custom synthesis services for BW 5 (pesticide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.