![3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide structure](/static/products/899/899396-72-6.png)
3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
TL;DR: 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide (CAS 899396-72-6) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
Also Known As: 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide, AP-970/43482382, BRD-K55260682-001-08-7, 1-(2-Methyl-quinolin-5-yl)-3-(3,4,5-trimethoxy-benzoyl)-thiourea, 3,4,5-trimethoxy-N-((2-methylquinolin-5-yl)carbamothioyl)benzamide
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.69582 |
| Topological Polar Surface Area | 81.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 1059.7045 |
Chemical Identifiers
| CAS Number | 899396-72-6 |
|---|---|
| SMILES | CC1=NC2=C(C=C1)C(=CC=C2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide (CAS 899396-72-6), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide.
Chemical Property Profile of 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
Property Insights of 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide
The XLogP value of 3.69582 indicates that 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide has 2 hydrogen bond donor(s) and 6 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 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
The CAS number of 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide is 899396-72-6.
What is the molecular formula of 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
The molecular formula of 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide is C21H21N3O4S.
What is the molecular weight of 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
The molecular weight of 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide is 411.13 g/mol.
Where can I buy 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
You can request a quote for 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-trimethoxy-N-[(2-methylquinolin-5-yl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.