![N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide structure](/static/products/4452/445241-01-0.webp)
N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
TL;DR: N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide (CAS 445241-01-0) is a chemical compound with molecular formula C28H26N4O4S and molecular weight 514.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
Also Known As: N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide, N-{2-nitro-4,6-dimethylphenyl}-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea, N-(2,4-DIMETHYL-6-NITROPHENYL)-N'-{[2-(3-ISOPROPOXYPHENYL)-4-QUINOLYL]CARBONYL}THIOUREA, N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-[3-(propan-2-yloxy)phenyl]quinoline-4-carboxamide
| Molecular Formula | C28H26N4O4S |
|---|---|
| Molecular Weight | 514.17 g/mol |
| LogP | 6.34084 |
| Topological Polar Surface Area | 106.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.1675 |
| Heavy Atoms | 37 |
| Complexity | 1534.4038 |
Chemical Identifiers
| CAS Number | 445241-01-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC(C)C)C |
Product Overview
N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide (CAS 445241-01-0), with molecular formula C28H26N4O4S and molecular weight 514.17 g/mol. IUPAC: N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide.
Chemical Property Profile of N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
Property Insights of N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
The XLogP value of 6.34084 indicates that N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide. Following Lipinski's Rule of Five, N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The CAS number of N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is 445241-01-0.
What is the molecular formula of N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The molecular formula of N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is C28H26N4O4S.
What is the molecular weight of N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The molecular weight of N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is 514.17 g/mol.
Where can I buy N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
You can request a quote for N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)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-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.