![N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide structure](/static/products/4284/428456-17-1.webp)
N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide
TL;DR: N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide (CAS 428456-17-1) is a chemical compound with molecular formula C21H14BrN3O2S2 and molecular weight 482.97 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)-4-hydroxyphenyl]carbamothioyl]-2-bromobenzamide
Also Known As: AN-648/41128308, N-((3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-bromobenzamide, N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide, N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-2-bromobenzamide, N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-bromobenzamide
| Molecular Formula | C21H14BrN3O2S2 |
|---|---|
| Molecular Weight | 482.97 g/mol |
| LogP | 5.5582 |
| Topological Polar Surface Area | 74.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 482.97107 |
| Heavy Atoms | 29 |
| Complexity | 1206.5686 |
Chemical Identifiers
| CAS Number | 428456-17-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)O)C3=NC4=CC=CC=C4S3)Br |
Product Overview
N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide (CAS 428456-17-1), with molecular formula C21H14BrN3O2S2 and molecular weight 482.97 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-2-bromobenzamide.
Chemical Property Profile of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide
Property Insights of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide
The XLogP value of 5.5582 indicates that N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide. Following Lipinski's Rule of Five, N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide has 3 hydrogen bond donor(s) and 5 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)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide?
The CAS number of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide is 428456-17-1.
What is the molecular formula of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide?
The molecular formula of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide is C21H14BrN3O2S2.
What is the molecular weight of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide?
The molecular weight of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide is 482.97 g/mol.
Where can I buy N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide?
You can request a quote for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-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)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.