![3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide structure](/static/products/371/371212-92-9.png)
3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide
TL;DR: 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide (CAS 371212-92-9) is a chemical compound with molecular formula C22H19F3N4O4S and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-1-benzofuran-2-carboxamide
Also Known As: 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide, (3-methylbenzo[d]furan-2-yl)-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazi nyl}thioxomethyl)carboxamide, 3-methyl-N-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazine-1-carbonothioyl)benzofuran-2-carboxamide, 3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-1-benzofuran-2-carboxamide, 3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzofuran-2-carboxamide
| Molecular Formula | C22H19F3N4O4S |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 4.50512 |
| Topological Polar Surface Area | 91.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.1079 |
| Heavy Atoms | 34 |
| Complexity | 1282.8806 |
Chemical Identifiers
| CAS Number | 371212-92-9 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-] |
Product Overview
3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide (CAS 371212-92-9), with molecular formula C22H19F3N4O4S and molecular weight 492.11 g/mol. IUPAC: 3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide
Property Insights of 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide
The XLogP value of 4.50512 indicates that 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide 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 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide?
The CAS number of 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide is 371212-92-9.
What is the molecular formula of 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide?
The molecular formula of 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide is C22H19F3N4O4S.
What is the molecular weight of 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide?
The molecular weight of 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide is 492.11 g/mol.
Where can I buy 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide?
You can request a quote for 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.