2-Oxo-1,2-diphenylethyl diethylcarbamodithioate
TL;DR: 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate (CAS 91026-54-9) is a chemical compound with molecular formula C19H21NOS2 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1,2-diphenylethyl) N,N-diethylcarbamodithioate
Also Known As: 2-oxo-1,2-diphenylethyl diethylcarbamodithioate, AB01331271-02, (2-oxo-1,2-diphenylethyl) N,N-diethylcarbamodithioate, 2-[(diethylamino)thioxomethylthio]-1,2-diphenylethan-1-one, 2-[(DIETHYLCARBAMOTHIOYL)SULFANYL]-1,2-DIPHENYLETHAN-1-ONE
| Molecular Formula | C19H21NOS2 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 4.9705 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.10645 |
| Heavy Atoms | 23 |
| Complexity | 638.9339 |
Chemical Identifiers
| CAS Number | 91026-54-9 |
|---|---|
| SMILES | CCN(CC)C(=S)SC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
Product Overview
2-Oxo-1,2-diphenylethyl diethylcarbamodithioate (CAS 91026-54-9), with molecular formula C19H21NOS2 and molecular weight 343.11 g/mol. IUPAC: (2-oxo-1,2-diphenylethyl) N,N-diethylcarbamodithioate.
Chemical Property Profile of 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate
Property Insights of 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate
The XLogP value of 4.9705 indicates that 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate has 0 hydrogen bond donor(s) and 3 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-Oxo-1,2-diphenylethyl diethylcarbamodithioate?
The CAS number of 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate is 91026-54-9.
What is the molecular formula of 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate?
The molecular formula of 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate is C19H21NOS2.
What is the molecular weight of 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate?
The molecular weight of 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate is 343.11 g/mol.
Where can I buy 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate?
You can request a quote for 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,2-diphenylethyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.