N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide
TL;DR: N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide (CAS 892856-32-5) is a chemical compound with molecular formula C15H8BrN3OS and molecular weight 356.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide
Also Known As: N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide, N-(4-bromobenzo[d]thiazol-2-yl)-4-cyanobenzamide, F1822-0195
| Molecular Formula | C15H8BrN3OS |
|---|---|
| Molecular Weight | 356.96 g/mol |
| LogP | 4.18278 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.95715 |
| Heavy Atoms | 21 |
| Complexity | 864.7513 |
Chemical Identifiers
| CAS Number | 892856-32-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Br)N=C(S2)NC(=O)C3=CC=C(C=C3)C#N |
Product Overview
N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide (CAS 892856-32-5), with molecular formula C15H8BrN3OS and molecular weight 356.96 g/mol. IUPAC: N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide.
Chemical Property Profile of N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide
Property Insights of N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide
The XLogP value of 4.18278 indicates that N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide. Following Lipinski's Rule of Five, N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide?
The CAS number of N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide is 892856-32-5.
What is the molecular formula of N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide?
The molecular formula of N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide is C15H8BrN3OS.
What is the molecular weight of N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide?
The molecular weight of N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide is 356.96 g/mol.
Where can I buy N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide?
You can request a quote for N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-1,3-benzothiazol-2-yl)-4-cyanobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.