Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate
TL;DR: Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate (CAS 13329-82-3) is a chemical compound with molecular formula C7H6BrCl2O3PS and molecular weight 349.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2,5-dichlorophenoxy)-hydroxy-methoxy-sulfanylidene-λ5-phosphane
Also Known As: (4-Bromo-2,5-dichlorophenyl) methyl phosphorothionate, Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate, Phosphorothioic acid O-(4-bromo-2,5-dichloropehnyl) O-methyl ester, (4-bromo-2,5-dichlorophenoxy)-hydroxy-methoxy-sulfanylidene-, O-(4-Bromo-2,5-dichlorophenyl) O-methyl hydrogen phosphorothioate
| Molecular Formula | C7H6BrCl2O3PS |
|---|---|
| Molecular Weight | 349.83 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.83356 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 13329-82-3 |
|---|---|
| SMILES | COP(=S)(O)OC1=CC(=C(C=C1Cl)Br)Cl |
| InChIKey | SWZHPVYVLAUYFW-UHFFFAOYSA-N |
Product Overview
Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate (CAS 13329-82-3), with molecular formula C7H6BrCl2O3PS and molecular weight 349.83 g/mol. IUPAC: (4-bromo-2,5-dichlorophenoxy)-hydroxy-methoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate
Property Insights of Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate
The XLogP value of 4.7 indicates that Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate. Following Lipinski's Rule of Five, Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate 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 Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate?
The CAS number of Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate is 13329-82-3.
What is the molecular formula of Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate?
The molecular formula of Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate is C7H6BrCl2O3PS.
What is the molecular weight of Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate?
The molecular weight of Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate is 349.83 g/mol.
Where can I buy Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate?
You can request a quote for Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl, 4-bromo-2,5-dichloro-, hydrogen methyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.