2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate
TL;DR: 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate (CAS 356569-57-8) is a chemical compound with molecular formula C19H24N2OS2 and molecular weight 360.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] N,N-diethylcarbamodithioate
Also Known As: AB00685126-01, F0745-0888, 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate, 2-[(diethylcarbamothioyl)sulfanyl]-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethan-1-one, [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] N,N-diethylcarbamodithioate
| Molecular Formula | C19H24N2OS2 |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 4.63674 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.133 |
| Heavy Atoms | 24 |
| Complexity | 718.4681 |
Chemical Identifiers
| CAS Number | 356569-57-8 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)C1=C(N(C(=C1)C)C2=CC=CC=C2)C |
Product Overview
2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate (CAS 356569-57-8), with molecular formula C19H24N2OS2 and molecular weight 360.13 g/mol. IUPAC: [2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] N,N-diethylcarbamodithioate.
Chemical Property Profile of 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate
Property Insights of 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate
The XLogP value of 4.63674 indicates that 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.24 Ų, 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl 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-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate?
The CAS number of 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate is 356569-57-8.
What is the molecular formula of 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate?
The molecular formula of 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate is C19H24N2OS2.
What is the molecular weight of 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate?
The molecular weight of 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate is 360.13 g/mol.
Where can I buy 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate?
You can request a quote for 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-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-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-oxoethyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.