2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide
TL;DR: 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide (CAS 352025-00-4) is a chemical compound with molecular formula C13H16IN3OS and molecular weight 389.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide
Also Known As: 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide, 2-iodo-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide, AN-329/40395312, 2-iodo-N-[(4-methyl-1-piperazinyl)carbonothioyl]benzamide, 2-iodo-N-[(4-methylpiperazin-1-yl)carbonothioyl]benzamide
| Molecular Formula | C13H16IN3OS |
|---|---|
| Molecular Weight | 389.01 g/mol |
| LogP | 1.5533 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 389.0059 |
| Heavy Atoms | 19 |
| Complexity | 486.53162 |
Chemical Identifiers
| CAS Number | 352025-00-4 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)NC(=O)C2=CC=CC=C2I |
Product Overview
2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide (CAS 352025-00-4), with molecular formula C13H16IN3OS and molecular weight 389.01 g/mol. IUPAC: 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide.
Chemical Property Profile of 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide
Property Insights of 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide
The XLogP value of 1.5533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide. With a topological polar surface area (TPSA) of 35.58 Ų, 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-iodo-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-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide?
The CAS number of 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide is 352025-00-4.
What is the molecular formula of 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide?
The molecular formula of 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide is C13H16IN3OS.
What is the molecular weight of 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide?
The molecular weight of 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide is 389.01 g/mol.
Where can I buy 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide?
You can request a quote for 2-iodo-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-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-iodo-N-(4-methylpiperazine-1-carbothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.