4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester
TL;DR: 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester (CAS 498571-58-7) is a chemical compound with molecular formula C28H26N4O2S2 and molecular weight 514.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4,5-diphenyl-1,3-oxazol-2-yl)amino]-2-oxoethyl] 4-phenylpiperazine-1-carbodithioate
Also Known As: 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester, [(4,5-DIPHENYL-1,3-OXAZOL-2-YL)CARBAMOYL]METHYL 4-PHENYLPIPERAZINE-1-CARBODITHIOATE, [2-[(4,5-diphenyl-1,3-oxazol-2-yl)amino]-2-oxoethyl] 4-phenylpiperazine-1-carbodithioate, 2-((4,5-diphenyloxazol-2-yl)amino)-2-oxoethyl 4-phenylpiperazine-1-carbodithioate, 2-[(4,5-diphenyl-1,3-oxazol-2-yl)amino]-2-oxoethyl 4-phenylpiperazine-1-carbodithioate
| Molecular Formula | C28H26N4O2S2 |
|---|---|
| Molecular Weight | 514.15 g/mol |
| LogP | 5.7874 |
| Topological Polar Surface Area | 61.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.1497 |
| Heavy Atoms | 36 |
| Complexity | 1248.4111 |
Chemical Identifiers
| CAS Number | 498571-58-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=S)SCC(=O)NC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester (CAS 498571-58-7), with molecular formula C28H26N4O2S2 and molecular weight 514.15 g/mol. IUPAC: [2-[(4,5-diphenyl-1,3-oxazol-2-yl)amino]-2-oxoethyl] 4-phenylpiperazine-1-carbodithioate.
Chemical Property Profile of 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester
Property Insights of 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester
The XLogP value of 5.7874 indicates that 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester. Following Lipinski's Rule of Five, 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester?
The CAS number of 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester is 498571-58-7.
What is the molecular formula of 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester?
The molecular formula of 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester is C28H26N4O2S2.
What is the molecular weight of 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester?
The molecular weight of 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester is 514.15 g/mol.
Where can I buy 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester?
You can request a quote for 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-piperazine-1-carbodithioic acid (4,5-diphenyl-oxazol-2-ylcarbamoyl)-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.