![N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide structure](/static/products/671/671239-99-9.png)
N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide
TL;DR: N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide (CAS 671239-99-9) is a chemical compound with molecular formula C25H21FN4O3S and molecular weight 476.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-2-methylbenzamide
Also Known As: N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide, N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-2-methylbenzamide, N-[4-[[3-(4-fluorophenyl)prop-2-enoylthiocarbamoylamino]carbamoyl]phenyl]-2-methyl-benzamide, N-{4-[(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)carbonyl]phenyl}-2-methylbenzamide
| Molecular Formula | C25H21FN4O3S |
|---|---|
| Molecular Weight | 476.13 g/mol |
| LogP | 3.73532 |
| Topological Polar Surface Area | 99.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.13184 |
| Heavy Atoms | 34 |
| Complexity | 1241.7754 |
Chemical Identifiers
| CAS Number | 671239-99-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)/C=C/C3=CC=C(C=C3)F |
Product Overview
N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide (CAS 671239-99-9), with molecular formula C25H21FN4O3S and molecular weight 476.13 g/mol. IUPAC: N-[4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-2-methylbenzamide.
Chemical Property Profile of N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide
Property Insights of N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide
The XLogP value of 3.73532 indicates that N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide. Following Lipinski's Rule of Five, N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide 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-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide?
The CAS number of N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide is 671239-99-9.
What is the molecular formula of N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide?
The molecular formula of N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide is C25H21FN4O3S.
What is the molecular weight of N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide?
The molecular weight of N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide is 476.13 g/mol.
Where can I buy N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide?
You can request a quote for N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-{[2-({[3-(4-fluorophenyl)acryloyl]amino}carbonothioyl)hydrazino]carbonyl}phenyl)-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.