![N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide structure](/static/products/671/671239-92-2.png)
N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide
TL;DR: N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide (CAS 671239-92-2) is a chemical compound with molecular formula C21H21FN4O3S and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
Also Known As: N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide, N-benzyl-4-[2-[3-(4-fluorophenyl)prop-2-enoylthiocarbamoyl]hydrazinyl]-4-oxo-butanamide, N-benzyl-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide, N-benzyl-4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
| Molecular Formula | C21H21FN4O3S |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 1.9574 |
| Topological Polar Surface Area | 99.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.13184 |
| Heavy Atoms | 30 |
| Complexity | 917.6085 |
Chemical Identifiers
| CAS Number | 671239-92-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F |
Product Overview
N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide (CAS 671239-92-2), with molecular formula C21H21FN4O3S and molecular weight 428.13 g/mol. IUPAC: N-benzyl-4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide.
Chemical Property Profile of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide
Property Insights of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide
The XLogP value of 1.9574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide. The TPSA of 99.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide. Following Lipinski's Rule of Five, N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide 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-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide?
The CAS number of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide is 671239-92-2.
What is the molecular formula of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide?
The molecular formula of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide is C21H21FN4O3S.
What is the molecular weight of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide?
The molecular weight of N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide is 428.13 g/mol.
Where can I buy N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide?
You can request a quote for N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide 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-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide?
Yes, KEHONG BIO provides custom synthesis services for N-({2-[4-(benzylamino)-4-oxobutanoyl]hydrazino}carbonothioyl)-3-(4-fluorophenyl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.