2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate
TL;DR: 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate (CAS 371125-89-2) is a chemical compound with molecular formula C13H16N2O4S2 and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-hydroxy-2-(4-nitrophenyl)ethyl] morpholine-4-carbodithioate
Also Known As: 2-hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate, [2-hydroxy-2-(4-nitrophenyl)ethyl] morpholine-4-carbodithioate, 2-hydroxy-2-(p-nitrophenyl)ethyl morpholine-4-carbodithioate
| Molecular Formula | C13H16N2O4S2 |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 1.9785 |
| Topological Polar Surface Area | 75.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.05515 |
| Heavy Atoms | 21 |
| Complexity | 503.39764 |
Chemical Identifiers
| CAS Number | 371125-89-2 |
|---|---|
| SMILES | C1COCCN1C(=S)SCC(C2=CC=C(C=C2)[N+](=O)[O-])O |
Product Overview
2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate (CAS 371125-89-2), with molecular formula C13H16N2O4S2 and molecular weight 328.06 g/mol. IUPAC: [2-hydroxy-2-(4-nitrophenyl)ethyl] morpholine-4-carbodithioate.
Chemical Property Profile of 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate
Property Insights of 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate
The XLogP value of 1.9785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate. The TPSA of 75.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate. Following Lipinski's Rule of Five, 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate has 1 hydrogen bond donor(s) and 6 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-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate?
The CAS number of 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate is 371125-89-2.
What is the molecular formula of 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate?
The molecular formula of 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate is C13H16N2O4S2.
What is the molecular weight of 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate?
The molecular weight of 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate is 328.06 g/mol.
Where can I buy 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate?
You can request a quote for 2-Hydroxy-2-(4-nitrophenyl)ethyl 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 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2-(4-nitrophenyl)ethyl morpholine-4-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.