![N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide structure](/static/products/6718/671818-87-4.webp)
N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide
TL;DR: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide (CAS 671818-87-4) is a chemical compound with molecular formula C21H14BrN3OS2 and molecular weight 466.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide
Also Known As: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide, N-{[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-4-bromobenzamide, N-[(3-benzothiazol-2-ylphenyl)thiocarbamoyl]-4-bromo-benzamide
| Molecular Formula | C21H14BrN3OS2 |
|---|---|
| Molecular Weight | 466.98 g/mol |
| LogP | 5.8526 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.97617 |
| Heavy Atoms | 28 |
| Complexity | 1138.723 |
Chemical Identifiers
| CAS Number | 671818-87-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br |
Product Overview
N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide (CAS 671818-87-4), with molecular formula C21H14BrN3OS2 and molecular weight 466.98 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide.
Chemical Property Profile of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide
Property Insights of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide
The XLogP value of 5.8526 indicates that N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide 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-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide 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-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide?
The CAS number of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide is 671818-87-4.
What is the molecular formula of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide?
The molecular formula of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide is C21H14BrN3OS2.
What is the molecular weight of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide?
The molecular weight of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide is 466.98 g/mol.
Where can I buy N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide?
You can request a quote for N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.