4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide
TL;DR: 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide (CAS 202207-34-9) is a chemical compound with molecular formula C14H9N3O3S2 and molecular weight 331.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzamide
Also Known As: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzamide, BAS 00569579, 4-(benzo[d]thiazol-2-ylthio)-3-nitrobenzamide, 4-benzothiazol-2-ylthio-3-nitrobenzamide, BIM-0011488.P001
| Molecular Formula | C14H9N3O3S2 |
|---|---|
| Molecular Weight | 331.01 g/mol |
| LogP | 3.4546 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.00854 |
| Heavy Atoms | 22 |
| Complexity | 858.92535 |
Chemical Identifiers
| CAS Number | 202207-34-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-] |
Product Overview
4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide (CAS 202207-34-9), with molecular formula C14H9N3O3S2 and molecular weight 331.01 g/mol. IUPAC: 4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrobenzamide.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide
Property Insights of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide
The XLogP value of 3.4546 indicates that 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide has 1 hydrogen bond donor(s) and 6 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 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide?
The CAS number of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide is 202207-34-9.
What is the molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide?
The molecular formula of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide is C14H9N3O3S2.
What is the molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide?
The molecular weight of 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide is 331.01 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide?
You can request a quote for 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-ylsulfanyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.