![N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide structure](/static/products/4381/438196-02-2.webp)
N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
TL;DR: N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide (CAS 438196-02-2) is a chemical compound with molecular formula C28H26IN3O2S and molecular weight 595.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Also Known As: N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide, N-(4-iodo-2-methylphenyl)-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}thiourea, N-(4-IODO-2-METHYLPHENYL)-N'-{[2-(3-ISOBUTOXYPHENYL)-4-QUINOLYL]CARBONYL}THIOUREA
| Molecular Formula | C28H26IN3O2S |
|---|---|
| Molecular Weight | 595.08 g/mol |
| LogP | 6.97642 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 595.07904 |
| Heavy Atoms | 35 |
| Complexity | 1404.3641 |
Chemical Identifiers
| CAS Number | 438196-02-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)I)NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OCC(C)C |
Product Overview
N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide (CAS 438196-02-2), with molecular formula C28H26IN3O2S and molecular weight 595.08 g/mol. IUPAC: N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide.
Chemical Property Profile of N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
Property Insights of N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide
The XLogP value of 6.97642 indicates that N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide 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-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide. Following Lipinski's Rule of Five, N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
The CAS number of N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide is 438196-02-2.
What is the molecular formula of N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
The molecular formula of N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide is C28H26IN3O2S.
What is the molecular weight of N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
The molecular weight of N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide is 595.08 g/mol.
Where can I buy N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
You can request a quote for N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-iodo-2-methylphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.