2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate
TL;DR: 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate (CAS 105859-04-9) is a chemical compound with molecular formula C14H20N2O2S2 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxyanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
Also Known As: F1019-0085, 2-((4-methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate, 2-[(DIETHYLCARBAMOTHIOYL)SULFANYL]-N-(4-METHOXYPHENYL)ACETAMIDE, [2-(4-methoxyanilino)-2-oxoethyl] N,N-diethylcarbamodithioate, diethylamino-(N-p-methoxyphenylcarbamoyl)methylcarbodithioate
| Molecular Formula | C14H20N2O2S2 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.9936 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.09662 |
| Heavy Atoms | 20 |
| Complexity | 444.99207 |
Chemical Identifiers
| CAS Number | 105859-04-9 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)NC1=CC=C(C=C1)OC |
Product Overview
2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate (CAS 105859-04-9), with molecular formula C14H20N2O2S2 and molecular weight 312.10 g/mol. IUPAC: [2-(4-methoxyanilino)-2-oxoethyl] N,N-diethylcarbamodithioate.
Chemical Property Profile of 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate
Property Insights of 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate
The XLogP value of 2.9936 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate. With a topological polar surface area (TPSA) of 41.57 Ų, 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate has 1 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 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate?
The CAS number of 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate is 105859-04-9.
What is the molecular formula of 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate?
The molecular formula of 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate is C14H20N2O2S2.
What is the molecular weight of 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate?
The molecular weight of 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate is 312.10 g/mol.
Where can I buy 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate?
You can request a quote for 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methoxyphenyl)amino)-2-oxoethyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.