N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
TL;DR: N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide (CAS 39884-15-6) is a chemical compound with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
Also Known As: N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide, AB00682377-01, AS-871/12574837, N-(5-acetyl-4-methyl(1,3-thiazol-2-yl))(4-nitrophenyl)carboxamide
| Molecular Formula | C13H11N3O4S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.04703 |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 39884-15-6 |
|---|---|
| SMILES | CC1=C(SC(=N1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C |
| InChIKey | WPMURQRZFHQAJD-UHFFFAOYSA-N |
Product Overview
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide (CAS 39884-15-6), with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol. IUPAC: N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide.
Chemical Property Profile of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
Property Insights of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-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 N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide?
The CAS number of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide is 39884-15-6.
What is the molecular formula of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide?
The molecular formula of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide is C13H11N3O4S.
What is the molecular weight of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide?
The molecular weight of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide is 305.05 g/mol.
Where can I buy N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide?
You can request a quote for N-(5-acetyl-4-methyl-1,3-thiazol-2-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-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.