![N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide structure](/static/products/4284/428449-57-4.webp)
N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide
TL;DR: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide (CAS 428449-57-4) is a chemical compound with molecular formula C22H16BrN3O2S2 and molecular weight 496.99 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)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide
Also Known As: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide, N-{[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-3-bromo-4-methoxybenzamide, N-[3-(1,3-benzothiazol-2-yl)phenyl]-N'-(3-bromo-4-methoxybenzoyl)thiourea
| Molecular Formula | C22H16BrN3O2S2 |
|---|---|
| Molecular Weight | 496.99 g/mol |
| LogP | 5.8612 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.98672 |
| Heavy Atoms | 30 |
| Complexity | 1223.1102 |
Chemical Identifiers
| CAS Number | 428449-57-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)Br |
Product Overview
N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide (CAS 428449-57-4), with molecular formula C22H16BrN3O2S2 and molecular weight 496.99 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide.
Chemical Property Profile of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide
Property Insights of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide
The XLogP value of 5.8612 indicates that N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide has 2 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)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide?
The CAS number of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide is 428449-57-4.
What is the molecular formula of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide?
The molecular formula of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide is C22H16BrN3O2S2.
What is the molecular weight of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide?
The molecular weight of N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide is 496.99 g/mol.
Where can I buy N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide?
You can request a quote for N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide 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]-3-bromo-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.