![N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide structure](/static/products/4284/428450-16-2.webp)
N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide
TL;DR: N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide (CAS 428450-16-2) is a chemical compound with molecular formula C22H16FN3OS2 and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide
Also Known As: AB00106872-01, N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide, N-{[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl}-3-fluorobenzamide
| Molecular Formula | C22H16FN3OS2 |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 5.53762 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.07187 |
| Heavy Atoms | 29 |
| Complexity | 1202.6997 |
Chemical Identifiers
| CAS Number | 428450-16-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC(=CC=C4)F |
Product Overview
N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide (CAS 428450-16-2), with molecular formula C22H16FN3OS2 and molecular weight 421.07 g/mol. IUPAC: N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide.
Chemical Property Profile of N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide
Property Insights of N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide
The XLogP value of 5.53762 indicates that N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide 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 N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide?
The CAS number of N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide is 428450-16-2.
What is the molecular formula of N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide?
The molecular formula of N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide is C22H16FN3OS2.
What is the molecular weight of N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide?
The molecular weight of N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide is 421.07 g/mol.
Where can I buy N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide?
You can request a quote for N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.