N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
TL;DR: N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 690688-48-3) is a chemical compound with molecular formula C18H20N4O3S and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Also Known As: N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide, N-(3-methoxyphenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide
| Molecular Formula | C18H20N4O3S |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 3.1224 |
| Topological Polar Surface Area | 70.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.1256 |
| Heavy Atoms | 26 |
| Complexity | 789.27814 |
Chemical Identifiers
| CAS Number | 690688-48-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 690688-48-3), with molecular formula C18H20N4O3S and molecular weight 372.13 g/mol. IUPAC: N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
Property Insights of N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide
The XLogP value of 3.1224 indicates that N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide has 1 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 N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The CAS number of N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is 690688-48-3.
What is the molecular formula of N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular formula of N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is C18H20N4O3S.
What is the molecular weight of N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular weight of N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide is 372.13 g/mol.
Where can I buy N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
You can request a quote for N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.