![3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide structure](/static/products/6978/6978-71-8.webp)
3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide
TL;DR: 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide (CAS 6978-71-8) is a chemical compound with molecular formula C24H18FN3OS2 and molecular weight 447.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]prop-2-enamide
Also Known As: 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide, 3-(4-fluorophenyl)-N-[[4-(6-methylbenzothiazol-2-yl)phenyl]thiocarbamoyl]prop-2-enamide, 3-(4-fluorophenyl)-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]prop-2-enamide
| Molecular Formula | C24H18FN3OS2 |
|---|---|
| Molecular Weight | 447.09 g/mol |
| LogP | 5.93722 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.08752 |
| Heavy Atoms | 31 |
| Complexity | 1278.6858 |
Chemical Identifiers
| CAS Number | 6978-71-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC=C(C=C4)F |
Product Overview
3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide (CAS 6978-71-8), with molecular formula C24H18FN3OS2 and molecular weight 447.09 g/mol. IUPAC: 3-(4-fluorophenyl)-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]prop-2-enamide.
Chemical Property Profile of 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide
Property Insights of 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide
The XLogP value of 5.93722 indicates that 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide?
The CAS number of 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide is 6978-71-8.
What is the molecular formula of 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide?
The molecular formula of 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide is C24H18FN3OS2.
What is the molecular weight of 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide?
The molecular weight of 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide is 447.09 g/mol.
Where can I buy 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide?
You can request a quote for 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)-N-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl}prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.