N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide
TL;DR: N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide (CAS 899991-57-2) is a chemical compound with molecular formula C20H24FN3O3S and molecular weight 405.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
Also Known As: VU0492142-1, N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide, N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide, N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
| Molecular Formula | C20H24FN3O3S |
|---|---|
| Molecular Weight | 405.15 g/mol |
| LogP | 2.69242 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.15225 |
| Heavy Atoms | 28 |
| Complexity | 922.1732 |
Chemical Identifiers
| CAS Number | 899991-57-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C |
Product Overview
N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide (CAS 899991-57-2), with molecular formula C20H24FN3O3S and molecular weight 405.15 g/mol. IUPAC: N-[(4-fluorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
Chemical Property Profile of N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide
Property Insights of N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide
The XLogP value of 2.69242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide. Following Lipinski's Rule of Five, N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide has 0 hydrogen bond donor(s) and 4 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-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide?
The CAS number of N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide is 899991-57-2.
What is the molecular formula of N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide?
The molecular formula of N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide is C20H24FN3O3S.
What is the molecular weight of N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide?
The molecular weight of N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide is 405.15 g/mol.
Where can I buy N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide?
You can request a quote for N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.