N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide
TL;DR: N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide (CAS 664969-78-2) is a chemical compound with molecular formula C16H25N3S and molecular weight 291.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide
Also Known As: N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide, AJ-292/41694673, N-(4-butylphenyl)-4-methyl-1-piperazinecarbothioamide, N-(4-butylphenyl)-4-methyl-piperazine-1-carbothioamide
| Molecular Formula | C16H25N3S |
|---|---|
| Molecular Weight | 291.18 g/mol |
| LogP | 2.9734 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.1769 |
| Heavy Atoms | 20 |
| Complexity | 421.85306 |
Chemical Identifiers
| CAS Number | 664969-78-2 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C |
Product Overview
N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide (CAS 664969-78-2), with molecular formula C16H25N3S and molecular weight 291.18 g/mol. IUPAC: N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide.
Chemical Property Profile of N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide
Property Insights of N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide
The XLogP value of 2.9734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 18.51 Ų, N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-butylphenyl)-4-methylpiperazine-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-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide?
The CAS number of N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide is 664969-78-2.
What is the molecular formula of N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide?
The molecular formula of N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide is C16H25N3S.
What is the molecular weight of N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide?
The molecular weight of N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide is 291.18 g/mol.
Where can I buy N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide?
You can request a quote for N-(4-butylphenyl)-4-methylpiperazine-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-butylphenyl)-4-methylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-butylphenyl)-4-methylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.