N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide
TL;DR: N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide (CAS 545347-87-3) is a chemical compound with molecular formula C14H7BrClN3O3S and molecular weight 410.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide
Also Known As: N-(6-Bromo-2-benzothiazolyl)-4-chloro-3-nitrobenzamide, N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide, N-(6-bromobenzothiazol-2-yl)-4-chloro-3-nitro-benzamide
| Molecular Formula | C14H7BrClN3O3S |
|---|---|
| Molecular Weight | 410.91 g/mol |
| LogP | 4.8727 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.908 |
| Heavy Atoms | 23 |
| Complexity | 944.16223 |
Chemical Identifiers
| CAS Number | 545347-87-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)[N+](=O)[O-])Cl |
Product Overview
N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide (CAS 545347-87-3), with molecular formula C14H7BrClN3O3S and molecular weight 410.91 g/mol. IUPAC: N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide.
Chemical Property Profile of N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide
Property Insights of N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide
The XLogP value of 4.8727 indicates that N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide?
The CAS number of N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide is 545347-87-3.
What is the molecular formula of N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide?
The molecular formula of N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide is C14H7BrClN3O3S.
What is the molecular weight of N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide?
The molecular weight of N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide is 410.91 g/mol.
Where can I buy N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide?
You can request a quote for N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-bromo-1,3-benzothiazol-2-yl)-4-chloro-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.