2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide
TL;DR: 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide (CAS 532957-13-4) is a chemical compound with molecular formula C13H9BrIN3OS and molecular weight 460.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[(5-iodo-2-pyridinyl)carbamothioyl]benzamide
Also Known As: 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide, 2-bromo-N-[(5-iodopyridin-2-yl)carbamothioyl]benzamide, 2-bromo-N-[(5-iodopyridin-2-yl)thiocarbamoyl]benzamide
| Molecular Formula | C13H9BrIN3OS |
|---|---|
| Molecular Weight | 460.87 g/mol |
| LogP | 3.5755 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.86945 |
| Heavy Atoms | 20 |
| Complexity | 648.31946 |
Chemical Identifiers
| CAS Number | 532957-13-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)I)Br |
Product Overview
2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide (CAS 532957-13-4), with molecular formula C13H9BrIN3OS and molecular weight 460.87 g/mol. IUPAC: 2-bromo-N-[(5-iodo-2-pyridinyl)carbamothioyl]benzamide.
Chemical Property Profile of 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide
Property Insights of 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide
The XLogP value of 3.5755 indicates that 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide has 2 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-((5-iodopyridin-2-yl)carbamothioyl)benzamide?
The CAS number of 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide is 532957-13-4.
What is the molecular formula of 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide?
The molecular formula of 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide is C13H9BrIN3OS.
What is the molecular weight of 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide?
The molecular weight of 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide is 460.87 g/mol.
Where can I buy 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide?
You can request a quote for 2-bromo-N-((5-iodopyridin-2-yl)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-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-((5-iodopyridin-2-yl)carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.