O-(3-Chlorophenyl) O-methyl phenylphosphonothioate
TL;DR: O-(3-Chlorophenyl) O-methyl phenylphosphonothioate (CAS 71432-17-2) is a chemical compound with molecular formula C13H12ClO2PS and molecular weight 298.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane
Also Known As: O-(3-Chlorophenyl) O-methyl phenylphosphonothioate, Phenylphosphonothioic acid O-(3-chlorophenyl) O-methyl ester, (3-chlorophenoxy)-methoxy-phenyl-sulfanylidene-, Phosphonothioic acid, phenyl-, O-(3-chlorophenyl) O-methyl ester, E5-phosphane
| Molecular Formula | C13H12ClO2PS |
|---|---|
| Molecular Weight | 298.00 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.9984 |
| Heavy Atoms | 18 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 71432-17-2 |
|---|---|
| SMILES | COP(=S)(C1=CC=CC=C1)OC2=CC(=CC=C2)Cl |
| InChIKey | JINBZNJDMRBPHH-UHFFFAOYSA-N |
Product Overview
O-(3-Chlorophenyl) O-methyl phenylphosphonothioate (CAS 71432-17-2), with molecular formula C13H12ClO2PS and molecular weight 298.00 g/mol. IUPAC: (3-chlorophenoxy)-methoxy-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(3-Chlorophenyl) O-methyl phenylphosphonothioate
Property Insights of O-(3-Chlorophenyl) O-methyl phenylphosphonothioate
The XLogP value of 5.0 indicates that O-(3-Chlorophenyl) O-methyl phenylphosphonothioate 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-(3-Chlorophenyl) O-methyl phenylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-(3-Chlorophenyl) O-methyl phenylphosphonothioate has 0 hydrogen bond donor(s) and 3 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 O-(3-Chlorophenyl) O-methyl phenylphosphonothioate?
The CAS number of O-(3-Chlorophenyl) O-methyl phenylphosphonothioate is 71432-17-2.
What is the molecular formula of O-(3-Chlorophenyl) O-methyl phenylphosphonothioate?
The molecular formula of O-(3-Chlorophenyl) O-methyl phenylphosphonothioate is C13H12ClO2PS.
What is the molecular weight of O-(3-Chlorophenyl) O-methyl phenylphosphonothioate?
The molecular weight of O-(3-Chlorophenyl) O-methyl phenylphosphonothioate is 298.00 g/mol.
Where can I buy O-(3-Chlorophenyl) O-methyl phenylphosphonothioate?
You can request a quote for O-(3-Chlorophenyl) O-methyl phenylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(3-Chlorophenyl) O-methyl phenylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(3-Chlorophenyl) O-methyl phenylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.