Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester
TL;DR: Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester (CAS 2720-17-4) is a chemical compound with molecular formula C10H12BrCl2O2PS and molecular weight 375.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromo-2,5-dichlorophenyl)methoxy-ethyl-methoxy-sulfanylidene-λ5-phosphane
Also Known As: CELA K-37, ENT 27,373, AI3-27373, K 37, O-(4-Bromo-2,5-dichlorophenyl) O-ethyl ethylphosphonothioate
| Molecular Formula | C10H12BrCl2O2PS |
|---|---|
| Molecular Weight | 375.89 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.88562 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 2720-17-4 |
|---|---|
| SMILES | CCP(=S)(OC)OCC1=CC(=C(C=C1Cl)Br)Cl |
| InChIKey | OYQUDUSSIXTVCZ-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester (CAS 2720-17-4), with molecular formula C10H12BrCl2O2PS and molecular weight 375.89 g/mol. IUPAC: (4-bromo-2,5-dichlorophenyl)methoxy-ethyl-methoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester
Property Insights of Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester
The XLogP value of 5.0 indicates that Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester 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 Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester?
The CAS number of Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester is 2720-17-4.
What is the molecular formula of Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester?
The molecular formula of Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester is C10H12BrCl2O2PS.
What is the molecular weight of Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester?
The molecular weight of Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester is 375.89 g/mol.
Where can I buy Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester?
You can request a quote for Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) 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 Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, ethyl-, O-(4-bromo-2,5-dichlorophenyl) O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.