2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide
TL;DR: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide (CAS 86407-93-4) is a chemical compound with molecular formula C15H11N3O3S2 and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide
Also Known As: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide, BAS 01313743, 2-benzothiazol-2-ylthio-N-(4-nitrophenyl)acetamide, 2-(benzo[d]thiazol-2-ylthio)-N-(4-nitrophenyl)acetamide, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-{4-nitrophenyl}acetamide
| Molecular Formula | C15H11N3O3S2 |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 3.9353 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.02417 |
| Heavy Atoms | 23 |
| Complexity | 828.7894 |
Chemical Identifiers
| CAS Number | 86407-93-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide (CAS 86407-93-4), with molecular formula C15H11N3O3S2 and molecular weight 345.02 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide
Property Insights of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide
The XLogP value of 3.9353 indicates that 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide 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 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide 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 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide?
The CAS number of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide is 86407-93-4.
What is the molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide is C15H11N3O3S2.
What is the molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide is 345.02 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.