N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
TL;DR: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide (CAS 839689-12-2) is a chemical compound with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
Also Known As: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide, N-(4,7-Dimethyl-2-benzothiazolyl)-2-(2-nitrophenoxy)acetamide
| Molecular Formula | C17H15N3O4S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 3.83884 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.07834 |
| Heavy Atoms | 25 |
| Complexity | 928.6814 |
Chemical Identifiers
| CAS Number | 839689-12-2 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide (CAS 839689-12-2), with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol. IUPAC: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide.
Chemical Property Profile of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
Property Insights of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
The XLogP value of 3.83884 indicates that N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide. Following Lipinski's Rule of Five, N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)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 N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide?
The CAS number of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide is 839689-12-2.
What is the molecular formula of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide?
The molecular formula of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide is C17H15N3O4S.
What is the molecular weight of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide?
The molecular weight of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide is 357.08 g/mol.
Where can I buy N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide?
You can request a quote for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.