Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester
TL;DR: Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester (CAS 68084-48-0) is a chemical compound with molecular formula C13H22NO3PS and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-4-methoxy-N-methylaniline
Also Known As: Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester, o-ethyl s-{2-[(4-methoxyphenyl)(methyl)amino]ethyl} methylphosphonothioate, Phosphonothioic acid, methyl-, O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester, N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-4-methoxy-N-methylaniline, BRN 2139080
| Molecular Formula | C13H22NO3PS |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 303.1058 |
| Heavy Atoms | 19 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 68084-48-0 |
|---|---|
| SMILES | CCOP(=O)(C)SCCN(C)C1=CC=C(C=C1)OC |
| InChIKey | VCYVNKLZFCNDMZ-UHFFFAOYSA-N |
Product Overview
Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester (CAS 68084-48-0), with molecular formula C13H22NO3PS and molecular weight 303.11 g/mol. IUPAC: N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-4-methoxy-N-methylaniline.
Chemical Property Profile of Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester
Property Insights of Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester. Following Lipinski's Rule of Five, Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester has 0 hydrogen bond donor(s) and 5 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 O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester?
The CAS number of Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester is 68084-48-0.
What is the molecular formula of Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester?
The molecular formula of Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester is C13H22NO3PS.
What is the molecular weight of Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester?
The molecular weight of Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester is 303.11 g/mol.
Where can I buy Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester?
You can request a quote for Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)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 O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Methylphosphonothioic acid O-ethyl S-(2-((4-methoxyphenyl)methylamino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.