![N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide structure](/static/products/648/648866-91-5.png)
N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide
TL;DR: N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide (CAS 648866-91-5) is a chemical compound with molecular formula C20H21FN4O3S and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-fluorobenzamide
Also Known As: N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide, N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-fluorobenzamide, N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazinyl)carbonothioyl]-4-fluorobenzamide
| Molecular Formula | C20H21FN4O3S |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 2.49694 |
| Topological Polar Surface Area | 99.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.13184 |
| Heavy Atoms | 29 |
| Complexity | 931.8236 |
Chemical Identifiers
| CAS Number | 648866-91-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F)C |
Product Overview
N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide (CAS 648866-91-5), with molecular formula C20H21FN4O3S and molecular weight 416.13 g/mol. IUPAC: N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide
Property Insights of N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide
The XLogP value of 2.49694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide. The TPSA of 99.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide. Following Lipinski's Rule of Five, N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide has 4 hydrogen bond donor(s) and 4 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 N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide?
The CAS number of N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide is 648866-91-5.
What is the molecular formula of N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide?
The molecular formula of N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide is C20H21FN4O3S.
What is the molecular weight of N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide?
The molecular weight of N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide is 416.13 g/mol.
Where can I buy N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide?
You can request a quote for N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide 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-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-{4-[(3,4-dimethylphenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.