N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide
TL;DR: N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 313233-36-2) is a chemical compound with molecular formula C14H8ClN3O3S and molecular weight 333.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Also Known As: N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide, F0298-0018, N-(6-chlorobenzo[d]thiazol-2-yl)-3-nitrobenzamide, N-(6-chloro-1,3-benzothiazol-2-yl)m-nitrobenzamide, N~1~-(6-CHLORO-1,3-BENZOTHIAZOL-2-YL)-3-NITROBENZAMIDE
| Molecular Formula | C14H8ClN3O3S |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | 4.1102 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.9975 |
| Heavy Atoms | 22 |
| Complexity | 893.92535 |
Chemical Identifiers
| CAS Number | 313233-36-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl |
Product Overview
N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide (CAS 313233-36-2), with molecular formula C14H8ClN3O3S and molecular weight 333.00 g/mol. IUPAC: N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide.
Chemical Property Profile of N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide
Property Insights of N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide
The XLogP value of 4.1102 indicates that N-(6-chloro-1,3-benzothiazol-2-yl)-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-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(6-chloro-1,3-benzothiazol-2-yl)-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-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The CAS number of N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 313233-36-2.
What is the molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide is C14H8ClN3O3S.
What is the molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
The molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide is 333.00 g/mol.
Where can I buy N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
You can request a quote for N-(6-chloro-1,3-benzothiazol-2-yl)-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-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-chloro-1,3-benzothiazol-2-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.