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N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide
TL;DR: N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide (CAS 532939-90-5) is a chemical compound with molecular formula C13H9IN4O3S and molecular weight 427.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-iodo-2-pyridinyl)carbamothioyl]-2-nitrobenzamide
Also Known As: N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide, N-[(5-iodopyridin-2-yl)thiocarbamoyl]-2-nitro-benzamide
| Molecular Formula | C13H9IN4O3S |
|---|---|
| Molecular Weight | 427.94 g/mol |
| LogP | 2.7212 |
| Topological Polar Surface Area | 97.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.944 |
| Heavy Atoms | 22 |
| Complexity | 736.32 |
Chemical Identifiers
| CAS Number | 532939-90-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)I)[N+](=O)[O-] |
Product Overview
N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide (CAS 532939-90-5), with molecular formula C13H9IN4O3S and molecular weight 427.94 g/mol. IUPAC: N-[(5-iodo-2-pyridinyl)carbamothioyl]-2-nitrobenzamide.
Chemical Property Profile of N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide
Property Insights of N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide
The XLogP value of 2.7212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide. The TPSA of 97.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide has 2 hydrogen bond donor(s) and 5 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 N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide?
The CAS number of N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide is 532939-90-5.
What is the molecular formula of N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide?
The molecular formula of N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide is C13H9IN4O3S.
What is the molecular weight of N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide?
The molecular weight of N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide is 427.94 g/mol.
Where can I buy N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide?
You can request a quote for N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-iodopyridin-2-yl)carbamothioyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.