1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea
TL;DR: 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea (CAS 6092-07-5) is a chemical compound with molecular formula C12H17N5O2S and molecular weight 295.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea
Also Known As: 1-(4-methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea, BIM-0044921.P001, N-(4-methyl-1-piperazinyl)-N'-(4-nitrophenyl)thiourea, N-(4-Methylpiperazin-1-yl)-N'-(4-nitrophenyl)thiourea
| Molecular Formula | C12H17N5O2S |
|---|---|
| Molecular Weight | 295.11 g/mol |
| LogP | 1.0436 |
| Topological Polar Surface Area | 73.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.1103 |
| Heavy Atoms | 20 |
| Complexity | 485.12598 |
Chemical Identifiers
| CAS Number | 6092-07-5 |
|---|---|
| SMILES | CN1CCN(CC1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea (CAS 6092-07-5), with molecular formula C12H17N5O2S and molecular weight 295.11 g/mol. IUPAC: 1-(4-methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea.
Chemical Property Profile of 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea
Property Insights of 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea
The XLogP value of 1.0436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea. The TPSA of 73.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea has 2 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-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea?
The CAS number of 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea is 6092-07-5.
What is the molecular formula of 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea?
The molecular formula of 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea is C12H17N5O2S.
What is the molecular weight of 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea?
The molecular weight of 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea is 295.11 g/mol.
Where can I buy 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea?
You can request a quote for 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylpiperazin-1-yl)-3-(4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.