O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate
TL;DR: O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate (CAS 2720-19-6) is a chemical compound with molecular formula C9H10BrCl2O2PS and molecular weight 361.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2,5-dichlorophenoxy)-ethyl-methoxy-sulfanylidene-λ5-phosphane
Also Known As: K 41 (pesticide), K-41[pesticide], CELA K-41, ENT 27,374, K 41
| Molecular Formula | C9H10BrCl2O2PS |
|---|---|
| Molecular Weight | 361.87 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.86996 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 2720-19-6 |
|---|---|
| SMILES | CCP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl |
| InChIKey | TWNWPCMKTMUIBD-UHFFFAOYSA-N |
Product Overview
O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate (CAS 2720-19-6), with molecular formula C9H10BrCl2O2PS and molecular weight 361.87 g/mol. IUPAC: (4-bromo-2,5-dichlorophenoxy)-ethyl-methoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate
Property Insights of O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate
The XLogP value of 5.5 indicates that O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate?
The CAS number of O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate is 2720-19-6.
What is the molecular formula of O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate?
The molecular formula of O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate is C9H10BrCl2O2PS.
What is the molecular weight of O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate?
The molecular weight of O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate is 361.87 g/mol.
Where can I buy O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate?
You can request a quote for O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-Bromo-3,6-dichlorophenyl) O-methyl ethylphosphonothionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.