N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide (CAS 313233-81-7) 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-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide
Also Known As: BAS 00463796, N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide, NCI60_033738, N-Benzothiazol-2-yl-2-chloro-5-nitro-benzamide, Benzamide, N-2-benzothiazolyl-2-chloro-5-nitro-
| Molecular Formula | C14H8ClN3O3S |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.9975 |
| Heavy Atoms | 22 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 313233-81-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
| InChIKey | RJVOSSOGDUDYNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide (CAS 313233-81-7), with molecular formula C14H8ClN3O3S and molecular weight 333.00 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide
The XLogP value of 4.0 indicates that N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2-chloro-5-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-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide is 313233-81-7.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide is C14H8ClN3O3S.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide is 333.00 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2-chloro-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.