2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
TL;DR: 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 616214-22-3) is a chemical compound with molecular formula C20H25N5O2S and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-1-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione
Also Known As: 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione, AS-871/41704847, F1326-0006, 2-(4-nitrophenyl)-1-[2-(piperazin-1-yl)ethyl]-1,4,5,6,7,8-hexahydroquinazoline-4-thione, 2-(4-nitrophenyl)-1-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione
| Molecular Formula | C20H25N5O2S |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 2.97179 |
| Topological Polar Surface Area | 76.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.17288 |
| Heavy Atoms | 28 |
| Complexity | 919.42865 |
Chemical Identifiers
| CAS Number | 616214-22-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)N=C(N2CCN3CCNCC3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 616214-22-3), with molecular formula C20H25N5O2S and molecular weight 399.17 g/mol. IUPAC: 2-(4-nitrophenyl)-1-(2-piperazin-1-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione.
Chemical Property Profile of 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
Property Insights of 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione
The XLogP value of 2.97179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione. The TPSA of 76.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione. Following Lipinski's Rule of Five, 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione 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-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The CAS number of 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 616214-22-3.
What is the molecular formula of 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular formula of 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is C20H25N5O2S.
What is the molecular weight of 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
The molecular weight of 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione is 399.17 g/mol.
Where can I buy 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
You can request a quote for 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione 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)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitrophenyl)-1-(2-(piperazin-1-yl)ethyl)-5,6,7,8-tetrahydroquinazoline-4(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.