1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate
TL;DR: 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate (CAS 374095-07-5) is a chemical compound with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl] morpholine-4-carbodithioate
Also Known As: 2,5-dioxo-1-(m-tolyl)pyrrolidin-3-yl morpholine-4-carbodithioate, [1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl] morpholine-4-carbodithioate, 1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate
| Molecular Formula | C16H18N2O3S2 |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 1.97722 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.0759 |
| Heavy Atoms | 23 |
| Complexity | 643.96747 |
Chemical Identifiers
| CAS Number | 374095-07-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)CC(C2=O)SC(=S)N3CCOCC3 |
Product Overview
1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate (CAS 374095-07-5), with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol. IUPAC: [1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl] morpholine-4-carbodithioate.
Chemical Property Profile of 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate
Property Insights of 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate
The XLogP value of 1.97722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate. With a topological polar surface area (TPSA) of 49.85 Ų, 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate 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 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate?
The CAS number of 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate is 374095-07-5.
What is the molecular formula of 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate?
The molecular formula of 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate is C16H18N2O3S2.
What is the molecular weight of 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate?
The molecular weight of 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate is 350.08 g/mol.
Where can I buy 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate?
You can request a quote for 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylphenyl)-2,5-dioxopyrrolidin-3-yl morpholine-4-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.