![N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide structure](/static/products/5315/531546-97-1.webp)
N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide
TL;DR: N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide (CAS 531546-97-1) is a chemical compound with molecular formula C14H11IN4O3S and molecular weight 441.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-iodo-2-pyridinyl)carbamothioyl]-3-methyl-4-nitrobenzamide
Also Known As: N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide, N-[(5-iodopyridin-2-yl)thiocarbamoyl]-3-methyl-4-nitro-benzamide
| Molecular Formula | C14H11IN4O3S |
|---|---|
| Molecular Weight | 441.96 g/mol |
| LogP | 3.02962 |
| Topological Polar Surface Area | 97.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.95966 |
| Heavy Atoms | 23 |
| Complexity | 780.0919 |
Chemical Identifiers
| CAS Number | 531546-97-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)I)[N+](=O)[O-] |
Product Overview
N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide (CAS 531546-97-1), with molecular formula C14H11IN4O3S and molecular weight 441.96 g/mol. IUPAC: N-[(5-iodo-2-pyridinyl)carbamothioyl]-3-methyl-4-nitrobenzamide.
Chemical Property Profile of N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide
Property Insights of N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide
The XLogP value of 3.02962 indicates that N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-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]-3-methyl-4-nitrobenzamide?
The CAS number of N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide is 531546-97-1.
What is the molecular formula of N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide?
The molecular formula of N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide is C14H11IN4O3S.
What is the molecular weight of N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide?
The molecular weight of N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide is 441.96 g/mol.
Where can I buy N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide?
You can request a quote for N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-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]-3-methyl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-iodopyridin-2-yl)carbamothioyl]-3-methyl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.