Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester
TL;DR: Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester (CAS 7780-33-8) is a chemical compound with molecular formula C13H21ClNO2PS and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphinothioyl]ethanamine
Also Known As: Dowco 105, 4-06-00-03313 (Beilstein Handbook Reference), O-4-t-Butyl-2-chlorophenyl O-methyl ethylphosphoramidothioate, Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester, o-(4-tert-butyl-2-chlorophenyl) o-methyl ethylphosphoramidothioate
| Molecular Formula | C13H21ClNO2PS |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.07193 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 7780-33-8 |
|---|---|
| SMILES | CCNP(=S)(OC)OC1=C(C=C(C=C1)C(C)(C)C)Cl |
| InChIKey | VQRMLSCAJOMIHI-UHFFFAOYSA-N |
Product Overview
Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester (CAS 7780-33-8), with molecular formula C13H21ClNO2PS and molecular weight 321.07 g/mol. IUPAC: N-[(4-tert-butyl-2-chlorophenoxy)-methoxyphosphinothioyl]ethanamine.
Chemical Property Profile of Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester
Property Insights of Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester
The XLogP value of 5.5 indicates that Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester. Following Lipinski's Rule of Five, Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester?
The CAS number of Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester is 7780-33-8.
What is the molecular formula of Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester?
The molecular formula of Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester is C13H21ClNO2PS.
What is the molecular weight of Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester?
The molecular weight of Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester is 321.07 g/mol.
Where can I buy Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester?
You can request a quote for Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoramidothioic acid, ethyl-, O-(4-t-butyl-2-chlorophenyl) O-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.