N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide
TL;DR: N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide (CAS 334501-20-1) is a chemical compound with molecular formula C18H21N3S and molecular weight 311.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide
Also Known As: BAS 01060427, N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide, 4-Phenyl-piperazine-1-carbothioic acid o-tolylamide, [(2-methylphenyl)amino](4-phenylpiperazinyl)methane-1-thione
| Molecular Formula | C18H21N3S |
|---|---|
| Molecular Weight | 311.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.14563 |
| Heavy Atoms | 22 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 334501-20-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)N2CCN(CC2)C3=CC=CC=C3 |
| InChIKey | ZPUUQORNKPTHGY-UHFFFAOYSA-N |
Product Overview
N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide (CAS 334501-20-1), with molecular formula C18H21N3S and molecular weight 311.15 g/mol. IUPAC: N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide
Property Insights of N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide
The XLogP value of 3.7 indicates that N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 2 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-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide?
The CAS number of N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide is 334501-20-1.
What is the molecular formula of N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide?
The molecular formula of N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide is C18H21N3S.
What is the molecular weight of N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide?
The molecular weight of N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide is 311.15 g/mol.
Where can I buy N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide?
You can request a quote for N-(2-methylphenyl)-4-phenylpiperazine-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-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methylphenyl)-4-phenylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.