N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide
TL;DR: N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide (CAS 516458-44-9) is a chemical compound with molecular formula C24H26N4S and molecular weight 402.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide
Also Known As: N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide, N-(4-anilinophenyl)-4-benzyl-piperazine-1-carbothioamide, 4-benzyl-N-[4-(phenylamino)phenyl]piperazine-1-carbothioamide, {[4-(phenylamino)phenyl]amino}[4-benzylpiperazinyl]methane-1-thione, N-(4-ANILINOPHENYL)-4-BENZYLTETRAHYDRO-1(2H)-PYRAZINECARBOTHIOAMIDE
| Molecular Formula | C24H26N4S |
|---|---|
| Molecular Weight | 402.19 g/mol |
| LogP | 4.9448 |
| Topological Polar Surface Area | 30.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1878 |
| Heavy Atoms | 29 |
| Complexity | 904.6303 |
Chemical Identifiers
| CAS Number | 516458-44-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)NC4=CC=CC=C4 |
Product Overview
N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide (CAS 516458-44-9), with molecular formula C24H26N4S and molecular weight 402.19 g/mol. IUPAC: N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide
Property Insights of N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide
The XLogP value of 4.9448 indicates that N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.54 Ų, N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide has 2 hydrogen bond donor(s) and 3 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-anilinophenyl)-4-benzylpiperazine-1-carbothioamide?
The CAS number of N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide is 516458-44-9.
What is the molecular formula of N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide?
The molecular formula of N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide is C24H26N4S.
What is the molecular weight of N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide?
The molecular weight of N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide is 402.19 g/mol.
Where can I buy N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide?
You can request a quote for N-(4-anilinophenyl)-4-benzylpiperazine-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-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-anilinophenyl)-4-benzylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.