![2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide structure](/static/products/3853/385379-46-4.webp)
2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide
TL;DR: 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide (CAS 385379-46-4) is a chemical compound with molecular formula C13H16ClN3OS and molecular weight 297.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(4-methylpiperazine-1-carbothioyl)benzamide
Also Known As: 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide, 2-chloro-N-(4-methylpiperazine-1-carbothioyl)benzamide, A2575/0109849, 2-chloro-N-(4-methylpiperazine-1-carbonothioyl)benzamide, N-(2-chlorobenzoyl)-4-methylpiperazine-1-carboximidothioic acid
| Molecular Formula | C13H16ClN3OS |
|---|---|
| Molecular Weight | 297.07 g/mol |
| LogP | 1.6021 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.07025 |
| Heavy Atoms | 19 |
| Complexity | 486.53162 |
Chemical Identifiers
| CAS Number | 385379-46-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2Cl |
Product Overview
2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide (CAS 385379-46-4), with molecular formula C13H16ClN3OS and molecular weight 297.07 g/mol. IUPAC: 2-chloro-N-(4-methylpiperazine-1-carbothioyl)benzamide.
Chemical Property Profile of 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide
Property Insights of 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide
The XLogP value of 1.6021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide. With a topological polar surface area (TPSA) of 35.58 Ų, 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide has 1 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 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide?
The CAS number of 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide is 385379-46-4.
What is the molecular formula of 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide?
The molecular formula of 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide is C13H16ClN3OS.
What is the molecular weight of 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide?
The molecular weight of 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide is 297.07 g/mol.
Where can I buy 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide?
You can request a quote for 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.