RefChem:370729
TL;DR: RefChem:370729 (CAS 68084-52-6) is a chemical compound with molecular formula C13H22NO2PS and molecular weight 287.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N,3-dimethylaniline
Also Known As: Methylphosphonothioic acid O-ethyl S-(2-(methyl(3-methylphenyl)amino)ethyl) ester, o-ethyl s-{2-[methyl(3-methylphenyl)amino]ethyl} methylphosphonothioate, Phosphonothioic acid, methyl-, O-ethyl S-(2-(methyl(3-methylphenyl)amino)ethyl) ester, N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N,3-dimethylaniline, BRN 2738554
| Molecular Formula | C13H22NO2PS |
|---|---|
| Molecular Weight | 287.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.1109 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 68084-52-6 |
|---|---|
| SMILES | CCOP(=O)(C)SCCN(C)C1=CC=CC(=C1)C |
| InChIKey | GXEGHECVIQDKOK-UHFFFAOYSA-N |
Product Overview
RefChem:370729 (CAS 68084-52-6), with molecular formula C13H22NO2PS and molecular weight 287.11 g/mol. IUPAC: N-[2-[ethoxy(methyl)phosphoryl]sulfanylethyl]-N,3-dimethylaniline.
Chemical Property Profile of RefChem:370729
Property Insights of RefChem:370729
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:370729. With a topological polar surface area (TPSA) of 54.8 Ų, RefChem:370729 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:370729 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 RefChem:370729?
The CAS number of RefChem:370729 is 68084-52-6.
What is the molecular formula of RefChem:370729?
The molecular formula of RefChem:370729 is C13H22NO2PS.
What is the molecular weight of RefChem:370729?
The molecular weight of RefChem:370729 is 287.11 g/mol.
Where can I buy RefChem:370729?
You can request a quote for RefChem:370729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:370729?
Yes, KEHONG BIO provides custom synthesis services for RefChem:370729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.