![N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide structure](/static/products/4452/445237-62-7.webp)
N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
TL;DR: N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide (CAS 445237-62-7) is a chemical compound with molecular formula C33H29N3O2S and molecular weight 531.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
Also Known As: N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide, N-benzyl-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}-N-phenylthiourea, N-[benzyl(phenyl)carbamothioyl]-2-[3-(propan-2-yloxy)phenyl]quinoline-4-carboxamide, N-BENZYL-N'-{[2-(3-ISOPROPOXYPHENYL)-4-QUINOLYL]CARBONYL}-N-PHENYLTHIOUREA
| Molecular Formula | C33H29N3O2S |
|---|---|
| Molecular Weight | 531.20 g/mol |
| LogP | 7.4105 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 531.19806 |
| Heavy Atoms | 39 |
| Complexity | 1604.0421 |
Chemical Identifiers
| CAS Number | 445237-62-7 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)N(CC4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide (CAS 445237-62-7), with molecular formula C33H29N3O2S and molecular weight 531.20 g/mol. IUPAC: N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide.
Chemical Property Profile of N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
Property Insights of N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide
The XLogP value of 7.4105 indicates that N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide has 1 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-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The CAS number of N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is 445237-62-7.
What is the molecular formula of N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The molecular formula of N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is C33H29N3O2S.
What is the molecular weight of N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The molecular weight of N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide is 531.20 g/mol.
Where can I buy N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
You can request a quote for N-[benzyl(phenyl)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-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[benzyl(phenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.