Benzamide, N-2-benzothiazolyl-4-nitro-
TL;DR: Benzamide, N-2-benzothiazolyl-4-nitro- (CAS 401-16-1) is a chemical compound with molecular formula C14H9N3O3S and molecular weight 299.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-4-nitrobenzamide
Also Known As: Benzamide, N-2-benzothiazolyl-4-nitro-, N-(1,3-benzothiazol-2-yl)-4-nitrobenzamide, n-(benzo[d]thiazol-2-yl)-4-nitrobenzamide, N-2-Benzothiazolyl-4-nitrobenzamide, SALOR-INT L449318-1EA
| Molecular Formula | C14H9N3O3S |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.03647 |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 401-16-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | GOKOILBJPWVKQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzamide, N-2-benzothiazolyl-4-nitro- (CAS 401-16-1), with molecular formula C14H9N3O3S and molecular weight 299.04 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4-nitrobenzamide.
Chemical Property Profile of Benzamide, N-2-benzothiazolyl-4-nitro-
Property Insights of Benzamide, N-2-benzothiazolyl-4-nitro-
The XLogP value of 3.4 indicates that Benzamide, N-2-benzothiazolyl-4-nitro- 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 Benzamide, N-2-benzothiazolyl-4-nitro-. Following Lipinski's Rule of Five, Benzamide, N-2-benzothiazolyl-4-nitro- 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 Benzamide, N-2-benzothiazolyl-4-nitro-?
The CAS number of Benzamide, N-2-benzothiazolyl-4-nitro- is 401-16-1.
What is the molecular formula of Benzamide, N-2-benzothiazolyl-4-nitro-?
The molecular formula of Benzamide, N-2-benzothiazolyl-4-nitro- is C14H9N3O3S.
What is the molecular weight of Benzamide, N-2-benzothiazolyl-4-nitro-?
The molecular weight of Benzamide, N-2-benzothiazolyl-4-nitro- is 299.04 g/mol.
Where can I buy Benzamide, N-2-benzothiazolyl-4-nitro-?
You can request a quote for Benzamide, N-2-benzothiazolyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-2-benzothiazolyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-2-benzothiazolyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.