![N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide structure](/static/products/578/578752-38-2.png)
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide
TL;DR: N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide (CAS 578752-38-2) is a chemical compound with molecular formula C21H15BrN2OS2 and molecular weight 453.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-4-bromobenzamide
Also Known As: N-(2-benzylsulfanylbenzothiazol-6-yl)-4-bromo-benzamide, N-(2-(benzylthio)benzo[d]thiazol-6-yl)-4-bromobenzamide, N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-4-bromobenzamide, N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide
| Molecular Formula | C21H15BrN2OS2 |
|---|---|
| Molecular Weight | 453.98 g/mol |
| LogP | 6.6034 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.98093 |
| Heavy Atoms | 27 |
| Complexity | 1078.5009 |
Chemical Identifiers
| CAS Number | 578752-38-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br |
Product Overview
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide (CAS 578752-38-2), with molecular formula C21H15BrN2OS2 and molecular weight 453.98 g/mol. IUPAC: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-4-bromobenzamide.
Chemical Property Profile of N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide
Property Insights of N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide
The XLogP value of 6.6034 indicates that N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide has 1 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-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide?
The CAS number of N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide is 578752-38-2.
What is the molecular formula of N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide?
The molecular formula of N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide is C21H15BrN2OS2.
What is the molecular weight of N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide?
The molecular weight of N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide is 453.98 g/mol.
Where can I buy N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide?
You can request a quote for N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-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-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-4-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.