![3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide structure](/static/products/5285/528562-83-6.webp)
3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide
TL;DR: 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide (CAS 528562-83-6) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(2-morpholin-4-ylphenyl)carbamothioyl]-4-nitrobenzamide
Also Known As: 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide, 3-methyl-N-[(2-morpholin-4-ylphenyl)carbamothioyl]-4-nitrobenzamide, 3-methyl-N-((2-morpholinophenyl)carbamothioyl)-4-nitrobenzamide, 1-(3-METHYL-4-NITROBENZOYL)-3-[2-(MORPHOLIN-4-YL)PHENYL]THIOUREA, 3-methyl-N-({[2-(4-morpholinyl)phenyl]amino}carbonothioyl)-4-nitrobenzamide
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 2.86662 |
| Topological Polar Surface Area | 96.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 912.5567 |
Chemical Identifiers
| CAS Number | 528562-83-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCOCC3)[N+](=O)[O-] |
Product Overview
3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide (CAS 528562-83-6), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: 3-methyl-N-[(2-morpholin-4-ylphenyl)carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide
Property Insights of 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide
The XLogP value of 2.86662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide. The TPSA of 96.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide. Following Lipinski's Rule of Five, 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide 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-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide?
The CAS number of 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide is 528562-83-6.
What is the molecular formula of 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide?
The molecular formula of 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide is C19H20N4O4S.
What is the molecular weight of 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide?
The molecular weight of 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide is 400.12 g/mol.
Where can I buy 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide?
You can request a quote for 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.