2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide
TL;DR: 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide (CAS 447455-32-5) is a chemical compound with molecular formula C13H16BrN3OS and molecular weight 341.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide
Also Known As: 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide, A2703/0115010, 2-Bromo-N-(4-methyl-piperazine-1-carbothioyl)-benzamide, 2-bromo-N-[(4-methyl-1-piperazinyl)carbonothioyl]benzamide, 2-bromo-N-[(4-methylpiperazin-1-yl)carbonothioyl]benzamide
| Molecular Formula | C13H16BrN3OS |
|---|---|
| Molecular Weight | 341.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 341.01974 |
| Heavy Atoms | 19 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 447455-32-5 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2Br |
| InChIKey | TXAQZLQLRLERHS-UHFFFAOYSA-N |
Product Overview
2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide (CAS 447455-32-5), with molecular formula C13H16BrN3OS and molecular weight 341.02 g/mol. IUPAC: 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide.
Chemical Property Profile of 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide
Property Insights of 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide. Following Lipinski's Rule of Five, 2-bromo-N-(4-methylpiperazine-1-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-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide?
The CAS number of 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide is 447455-32-5.
What is the molecular formula of 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide?
The molecular formula of 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide is C13H16BrN3OS.
What is the molecular weight of 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide?
The molecular weight of 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide is 341.02 g/mol.
Where can I buy 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide?
You can request a quote for 2-bromo-N-(4-methylpiperazine-1-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-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-(4-methylpiperazine-1-carbothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.