S-Benzyl O-ethyl p-tolylphosphonothioate
TL;DR: S-Benzyl O-ethyl p-tolylphosphonothioate (CAS 23182-56-1) is a chemical compound with molecular formula C16H19O2PS and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[benzylsulfanyl(ethoxy)phosphoryl]-4-methylbenzene
Also Known As: S-Benzyl O-ethyl p-tolylphosphonothioate, 1-[benzylsulfanyl(ethoxy)phosphoryl]-4-methylbenzene, Phosphonothioic acid, p-tolyl-, S-benzyl O-ethyl ester, S-Benzyl O-ethyl (4-methylphenyl)phosphonothioate, Phosphonothioic acid,p-tolyl-,S-benzyl O-ethyl ester
| Molecular Formula | C16H19O2PS |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.08435 |
| Heavy Atoms | 20 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 23182-56-1 |
|---|---|
| SMILES | CCOP(=O)(C1=CC=C(C=C1)C)SCC2=CC=CC=C2 |
| InChIKey | TWFVZZSZTZYASI-UHFFFAOYSA-N |
Product Overview
S-Benzyl O-ethyl p-tolylphosphonothioate (CAS 23182-56-1), with molecular formula C16H19O2PS and molecular weight 306.08 g/mol. IUPAC: 1-[benzylsulfanyl(ethoxy)phosphoryl]-4-methylbenzene.
Chemical Property Profile of S-Benzyl O-ethyl p-tolylphosphonothioate
Property Insights of S-Benzyl O-ethyl p-tolylphosphonothioate
The XLogP value of 3.6 indicates that S-Benzyl O-ethyl p-tolylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, S-Benzyl O-ethyl p-tolylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Benzyl O-ethyl p-tolylphosphonothioate 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 S-Benzyl O-ethyl p-tolylphosphonothioate?
The CAS number of S-Benzyl O-ethyl p-tolylphosphonothioate is 23182-56-1.
What is the molecular formula of S-Benzyl O-ethyl p-tolylphosphonothioate?
The molecular formula of S-Benzyl O-ethyl p-tolylphosphonothioate is C16H19O2PS.
What is the molecular weight of S-Benzyl O-ethyl p-tolylphosphonothioate?
The molecular weight of S-Benzyl O-ethyl p-tolylphosphonothioate is 306.08 g/mol.
Where can I buy S-Benzyl O-ethyl p-tolylphosphonothioate?
You can request a quote for S-Benzyl O-ethyl p-tolylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzyl O-ethyl p-tolylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for S-Benzyl O-ethyl p-tolylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.