(4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid
TL;DR: (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid (CAS 81117-00-2) is a chemical compound with molecular formula C9H11BrClO3PS and molecular weight 343.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid
Also Known As: (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid, O-(4-Bromo-2-chlorophenyl) S-propyl hydrogen phosphorothioate, (4-bromo-2-chloro-phenoxy)-propylsulfanyl-phosphinic Acid
| Molecular Formula | C9H11BrClO3PS |
|---|---|
| Molecular Weight | 343.90 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.90384 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 81117-00-2 |
|---|---|
| SMILES | CCCSP(=O)(O)OC1=C(C=C(C=C1)Br)Cl |
| InChIKey | GZZITKVVZDJIGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid (CAS 81117-00-2), with molecular formula C9H11BrClO3PS and molecular weight 343.90 g/mol. IUPAC: (4-bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid.
Chemical Property Profile of (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid
Property Insights of (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid
The XLogP value of 3.8 indicates that (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid. Following Lipinski's Rule of Five, (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid 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 (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid?
The CAS number of (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid is 81117-00-2.
What is the molecular formula of (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid?
The molecular formula of (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid is C9H11BrClO3PS.
What is the molecular weight of (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid?
The molecular weight of (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid is 343.90 g/mol.
Where can I buy (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid?
You can request a quote for (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Bromo-2-chlorophenoxy)-propylsulfanylphosphinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.