Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester
TL;DR: Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester (CAS 5075-13-8) is a chemical compound with molecular formula C8H10ClOPS and molecular weight 219.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloro-ethoxy-phenyl-sulfanylidene-λ5-phosphane
Also Known As: o-ethyl phenylphosphonochloridothioate, Ethyl P-phenylphosphonochloridothioate, O-Ethyl phenylchloridothiophosphonate, Phenylphosphonochloridothioic acid O-ethyl ester, O-ethylphenylchloridothiophosphonate
| Molecular Formula | C8H10ClOPS |
|---|---|
| Molecular Weight | 219.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 41.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.98785 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 5075-13-8 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=CC=C1)Cl |
| InChIKey | FVIHUXZNJJCGPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester (CAS 5075-13-8), with molecular formula C8H10ClOPS and molecular weight 219.99 g/mol. IUPAC: chloro-ethoxy-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester
Property Insights of Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester
The XLogP value of 3.9 indicates that Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.3 Ų, Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester has 0 hydrogen bond donor(s) and 2 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 Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester?
The CAS number of Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester is 5075-13-8.
What is the molecular formula of Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester?
The molecular formula of Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester is C8H10ClOPS.
What is the molecular weight of Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester?
The molecular weight of Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester is 219.99 g/mol.
Where can I buy Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester?
You can request a quote for Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonochloridothioic acid, P-phenyl-, O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.