![N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide structure](/static/products/671/671240-03-2.png)
N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide
TL;DR: N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide (CAS 671240-03-2) is a chemical compound with molecular formula C20H18ClFN4O3S and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide
Also Known As: N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide, N-(2-chlorophenyl)-4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide, N-(2-chlorophenyl)-4-[2-[3-(4-fluorophenyl)prop-2-enoylthiocarbamoyl]hydrazinyl]-4-oxo-butanamide, N-[(2-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}hydrazino)carbonothioyl]-3-(4-fluorophenyl)acrylamide
| Molecular Formula | C20H18ClFN4O3S |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 2.9331 |
| Topological Polar Surface Area | 99.33 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.0772 |
| Heavy Atoms | 30 |
| Complexity | 966.7789 |
Chemical Identifiers
| CAS Number | 671240-03-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)/C=C/C2=CC=C(C=C2)F)Cl |
Product Overview
N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide (CAS 671240-03-2), with molecular formula C20H18ClFN4O3S and molecular weight 448.08 g/mol. IUPAC: N-(2-chlorophenyl)-4-[2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]hydrazinyl]-4-oxobutanamide.
Chemical Property Profile of N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide
Property Insights of N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide
The XLogP value of 2.9331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide. The TPSA of 99.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide. Following Lipinski's Rule of Five, N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide 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-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide?
The CAS number of N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide is 671240-03-2.
What is the molecular formula of N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide?
The molecular formula of N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide is C20H18ClFN4O3S.
What is the molecular weight of N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide?
The molecular weight of N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide is 448.08 g/mol.
Where can I buy N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide?
You can request a quote for N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorophenyl)-4-(2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}hydrazinyl)-4-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.