Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester
TL;DR: Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester (CAS 5394-38-7) is a chemical compound with molecular formula C12H19ClNO2PS and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N-methylaniline
Also Known As: Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester, Phosphonothioic acid, methyl-, S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester, s-{2-[(4-chlorophenyl)(methyl)amino]ethyl} o-ethyl methylphosphonothioate, 4-chloro-N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N-methylaniline, BRN 2134299
| Molecular Formula | C12H19ClNO2PS |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.05627 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 5394-38-7 |
|---|---|
| SMILES | CCOP(=O)(C)SCCN(C)C1=CC=C(C=C1)Cl |
| InChIKey | FJTBNYZUCHWAGC-UHFFFAOYSA-N |
Product Overview
Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester (CAS 5394-38-7), with molecular formula C12H19ClNO2PS and molecular weight 307.06 g/mol. IUPAC: 4-chloro-N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N-methylaniline.
Chemical Property Profile of Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester
Property Insights of Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester. With a topological polar surface area (TPSA) of 54.8 Ų, Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester has 0 hydrogen bond donor(s) and 4 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 Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester?
The CAS number of Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester is 5394-38-7.
What is the molecular formula of Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester?
The molecular formula of Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester is C12H19ClNO2PS.
What is the molecular weight of Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester?
The molecular weight of Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester is 307.06 g/mol.
Where can I buy Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester?
You can request a quote for Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) 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 Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methylphosphonothioic acid S-(2-((4-chlorophenyl)methylamino)ethyl) O-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.