Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester
TL;DR: Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester (CAS 87112-25-2) is a chemical compound with molecular formula C11H16ClN2O4PS and molecular weight 338.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-6-nitrophenoxy)-ethoxyphosphinothioyl]propan-2-amine
Also Known As: Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester, N-[(2-chloro-6-nitrophenoxy)-ethoxyphosphinothioyl]propan-2-amine, N-[(2-chloro-6-nitro-phenoxy)-ethoxy-phosphinothioyl]propan-2-amine, O-(2-Chloro-6-nitrophenyl) O-ethyl N-(propan-2-yl)phosphoramidothioate, O-(2-Chloro-6-nitrophenyl) O-ethyl N-propan-2-ylphosphoramidothioate
| Molecular Formula | C11H16ClN2O4PS |
|---|---|
| Molecular Weight | 338.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.0257 |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 87112-25-2 |
|---|---|
| SMILES | CCOP(=S)(NC(C)C)OC1=C(C=CC=C1Cl)[N+](=O)[O-] |
| InChIKey | KJFJMUPUDSSSPB-UHFFFAOYSA-N |
Product Overview
Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester (CAS 87112-25-2), with molecular formula C11H16ClN2O4PS and molecular weight 338.03 g/mol. IUPAC: N-[(2-chloro-6-nitrophenoxy)-ethoxyphosphinothioyl]propan-2-amine.
Chemical Property Profile of Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester
Property Insights of Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester
The XLogP value of 4.4 indicates that Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester. Following Lipinski's Rule of Five, Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester has 1 hydrogen bond donor(s) and 6 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 Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester?
The CAS number of Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester is 87112-25-2.
What is the molecular formula of Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester?
The molecular formula of Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester is C11H16ClN2O4PS.
What is the molecular weight of Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester?
The molecular weight of Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester is 338.03 g/mol.
Where can I buy Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester?
You can request a quote for Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)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 Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoramidothioic acid, (1-methylethyl)-, O-(2-chloro-6-nitrophenyl)O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.