2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate
TL;DR: 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate (CAS 24372-63-2) is a chemical compound with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] piperidine-1-carbodithioate
Also Known As: BAS 00633891, 2-{4-nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate, BIM-0019160.P001, J3.341.536B, [2-(4-nitrophenyl)-2-oxoethyl] piperidine-1-carbodithioate
| Molecular Formula | C14H16N2O3S2 |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.06024 |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 24372-63-2 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | YOUCMXSQVLFGCC-UHFFFAOYSA-N |
Product Overview
2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate (CAS 24372-63-2), with molecular formula C14H16N2O3S2 and molecular weight 324.06 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] piperidine-1-carbodithioate.
Chemical Property Profile of 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate
Property Insights of 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate
The XLogP value of 3.4 indicates that 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate. Following Lipinski's Rule of Five, 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate 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 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate?
The CAS number of 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate is 24372-63-2.
What is the molecular formula of 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate?
The molecular formula of 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate is C14H16N2O3S2.
What is the molecular weight of 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate?
The molecular weight of 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate is 324.06 g/mol.
Where can I buy 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate?
You can request a quote for 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-Nitrophenyl}-2-oxoethyl 1-piperidinecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.