![2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide structure](/static/products/522/522651-95-2.png)
2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide
TL;DR: 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide (CAS 522651-95-2) is a chemical compound with molecular formula C13H12IN5O2S and molecular weight 428.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide
Also Known As: AN-329/41563861, 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide, 2-iodo-N-({2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]hydrazino}carbonothioyl)benzamide, 2-iodo-N-({2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]hydrazino}carbothioyl)benzamide, 2-iodo-N-({2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]hydrazinyl}carbonothioyl)benzamide
| Molecular Formula | C13H12IN5O2S |
|---|---|
| Molecular Weight | 428.98 g/mol |
| LogP | 1.27202 |
| Topological Polar Surface Area | 98.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.97565 |
| Heavy Atoms | 22 |
| Complexity | 730.72546 |
Chemical Identifiers
| CAS Number | 522651-95-2 |
|---|---|
| SMILES | CC1=CC(=NN1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2I |
Product Overview
2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide (CAS 522651-95-2), with molecular formula C13H12IN5O2S and molecular weight 428.98 g/mol. IUPAC: 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide.
Chemical Property Profile of 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide
Property Insights of 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide
The XLogP value of 1.27202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide. The TPSA of 98.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide has 4 hydrogen bond donor(s) and 4 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-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide?
The CAS number of 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide is 522651-95-2.
What is the molecular formula of 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide?
The molecular formula of 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide is C13H12IN5O2S.
What is the molecular weight of 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide?
The molecular weight of 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide is 428.98 g/mol.
Where can I buy 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide?
You can request a quote for 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]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-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-iodo-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.