O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate
TL;DR: O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate (CAS 6301-98-0) is a chemical compound with molecular formula C10H12BrCl2O2PS and molecular weight 375.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2,5-dichlorophenoxy)-methyl-propoxy-sulfanylidene-λ5-phosphane
Also Known As: OMS 1297, AI3-27453, AI 3-27453, o-(4-bromo-2,5-dichlorophenyl) o-propyl methylphosphonothioate, O-(2,5-Dichloro-4-bromophenyl) O-propyl methylphosphonothioate
| Molecular Formula | C10H12BrCl2O2PS |
|---|---|
| Molecular Weight | 375.89 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.88562 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 6301-98-0 |
|---|---|
| SMILES | CCCOP(=S)(C)OC1=CC(=C(C=C1Cl)Br)Cl |
| InChIKey | BDDMQMAHOSOSQV-UHFFFAOYSA-N |
Product Overview
O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate (CAS 6301-98-0), with molecular formula C10H12BrCl2O2PS and molecular weight 375.89 g/mol. IUPAC: (4-bromo-2,5-dichlorophenoxy)-methyl-propoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate
Property Insights of O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate
The XLogP value of 6.3 indicates that O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate 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-2,5-dichlorophenyl) O-propyl methylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate 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-2,5-dichlorophenyl) O-propyl methylphosphonothioate?
The CAS number of O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate is 6301-98-0.
What is the molecular formula of O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate?
The molecular formula of O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate is C10H12BrCl2O2PS.
What is the molecular weight of O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate?
The molecular weight of O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate is 375.89 g/mol.
Where can I buy O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate?
You can request a quote for O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate 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-2,5-dichlorophenyl) O-propyl methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-Bromo-2,5-dichlorophenyl) O-propyl methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.