N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
TL;DR: N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide (CAS 638148-76-2) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
Also Known As: N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 5.1981 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 1015.8535 |
Chemical Identifiers
| CAS Number | 638148-76-2 |
|---|---|
| SMILES | CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-] |
Product Overview
N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide (CAS 638148-76-2), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide.
Chemical Property Profile of N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
Property Insights of N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
The XLogP value of 5.1981 indicates that N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide 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-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide?
The CAS number of N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide is 638148-76-2.
What is the molecular formula of N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide?
The molecular formula of N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide is C20H21N3O4S.
What is the molecular weight of N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide?
The molecular weight of N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide is 399.13 g/mol.
Where can I buy N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide?
You can request a quote for N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-butyl-1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.