![N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide structure](/static/products/4296/429649-70-7.webp)
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide
TL;DR: N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide (CAS 429649-70-7) is a chemical compound with molecular formula C18H19IN2O2S and molecular weight 454.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide
Also Known As: N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide, N-{[5-(butan-2-yl)-2-hydroxyphenyl]carbamothioyl}-3-iodobenzamide, N-[(5-butan-2-yl-2-hydroxy-phenyl)thiocarbamoyl]-3-iodo-benzamide
| Molecular Formula | C18H19IN2O2S |
|---|---|
| Molecular Weight | 454.02 g/mol |
| LogP | 4.6371 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.0212 |
| Heavy Atoms | 24 |
| Complexity | 764.434 |
Chemical Identifiers
| CAS Number | 429649-70-7 |
|---|---|
| SMILES | CCC(C)C1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=CC(=CC=C2)I |
Product Overview
N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide (CAS 429649-70-7), with molecular formula C18H19IN2O2S and molecular weight 454.02 g/mol. IUPAC: N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide.
Chemical Property Profile of N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide
Property Insights of N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide
The XLogP value of 4.6371 indicates that N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide. Following Lipinski's Rule of Five, N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide has 3 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 N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide?
The CAS number of N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide is 429649-70-7.
What is the molecular formula of N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide?
The molecular formula of N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide is C18H19IN2O2S.
What is the molecular weight of N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide?
The molecular weight of N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide is 454.02 g/mol.
Where can I buy N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide?
You can request a quote for N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]-3-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.