N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide
TL;DR: N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide (CAS 69504-35-4) 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-(1,2-benzothiazol-3-yl)-4-nitrobenzamide
Also Known As: N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide, Benzamide, N-1,2-benzisothiazol-3-yl-4-nitro-, N-(1,2-benzothiazol-3-yl)-4-nitrobenzamide, Benzamide,N-1,2-benzisothiazol-3-yl-4-nitro-, N-(1,2-Benzothiazol-3(2H)-ylidene)-4-nitrobenzamide
| Molecular Formula | C14H9N3O3S |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 3.3 |
| 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 | 69504-35-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | GZVYYIGLDBOHAP-UHFFFAOYSA-N |
Product Overview
N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide (CAS 69504-35-4), with molecular formula C14H9N3O3S and molecular weight 299.04 g/mol. IUPAC: N-(1,2-benzothiazol-3-yl)-4-nitrobenzamide.
Chemical Property Profile of N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide
Property Insights of N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide
The XLogP value of 3.3 indicates that N-1,2-Benzisothiazol-3-yl-4-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-1,2-Benzisothiazol-3-yl-4-nitrobenzamide. Following Lipinski's Rule of Five, N-1,2-Benzisothiazol-3-yl-4-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-1,2-Benzisothiazol-3-yl-4-nitrobenzamide?
The CAS number of N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide is 69504-35-4.
What is the molecular formula of N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide?
The molecular formula of N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide is C14H9N3O3S.
What is the molecular weight of N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide?
The molecular weight of N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide is 299.04 g/mol.
Where can I buy N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide?
You can request a quote for N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-1,2-Benzisothiazol-3-yl-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.