![N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide structure](/static/products/4284/428443-69-0.webp)
N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide
TL;DR: N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide (CAS 428443-69-0) is a chemical compound with molecular formula C21H13Cl2N3OS2 and molecular weight 456.99 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-chlorophenyl]carbamothioyl]-2-chlorobenzamide
Also Known As: N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide, N-[(3-benzothiazol-2-yl-4-chloro-phenyl)thiocarbamoyl]-2-chloro-benzamide, 1-[3-(1,3-BENZOTHIAZOL-2-YL)-4-CHLOROPHENYL]-3-(2-CHLOROBENZOYL)THIOUREA, N-((3-(benzo[d]thiazol-2-yl)-4-chlorophenyl)carbamothioyl)-2-chlorobenzamide, N-({[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]amino}carbonothioyl)-2-chlorobenzamide
| Molecular Formula | C21H13Cl2N3OS2 |
|---|---|
| Molecular Weight | 456.99 g/mol |
| LogP | 6.3969 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 456.9877 |
| Heavy Atoms | 29 |
| Complexity | 1206.5686 |
Chemical Identifiers
| CAS Number | 428443-69-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)Cl |
Product Overview
N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide (CAS 428443-69-0), with molecular formula C21H13Cl2N3OS2 and molecular weight 456.99 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide.
Chemical Property Profile of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide
Property Insights of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide
The XLogP value of 6.3969 indicates that N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide 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)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide 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)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide?
The CAS number of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide is 428443-69-0.
What is the molecular formula of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide?
The molecular formula of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide is C21H13Cl2N3OS2.
What is the molecular weight of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide?
The molecular weight of N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide is 456.99 g/mol.
Where can I buy N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide?
You can request a quote for N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide 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-chlorophenyl]carbamothioyl]-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.