N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide
TL;DR: N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide (CAS 532941-95-0) is a chemical compound with molecular formula C16H16IN3O2S and molecular weight 441.00 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-propan-2-yloxybenzamide
Also Known As: N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide, N-[(5-iodopyridin-2-yl)carbamothioyl]-3-(propan-2-yloxy)benzamide, N-[(5-iodopyridin-2-yl)carbamothioyl]-3-propan-2-yloxybenzamide, N-[(5-iodopyridin-2-yl)thiocarbamoyl]-3-propan-2-yloxy-benzamide
| Molecular Formula | C16H16IN3O2S |
|---|---|
| Molecular Weight | 441.00 g/mol |
| LogP | 3.6002 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.0008 |
| Heavy Atoms | 23 |
| Complexity | 704.72644 |
Chemical Identifiers
| CAS Number | 532941-95-0 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC=C(C=C2)I |
Product Overview
N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide (CAS 532941-95-0), with molecular formula C16H16IN3O2S and molecular weight 441.00 g/mol. IUPAC: N-[(5-iodo-2-pyridinyl)carbamothioyl]-3-propan-2-yloxybenzamide.
Chemical Property Profile of N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide
Property Insights of N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide
The XLogP value of 3.6002 indicates that N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide. Following Lipinski's Rule of Five, N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide has 2 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 N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide?
The CAS number of N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide is 532941-95-0.
What is the molecular formula of N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide?
The molecular formula of N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide is C16H16IN3O2S.
What is the molecular weight of N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide?
The molecular weight of N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide is 441.00 g/mol.
Where can I buy N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide?
You can request a quote for N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide 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-isopropoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((5-iodopyridin-2-yl)carbamothioyl)-3-isopropoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.