3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
TL;DR: 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CAS 333350-61-1) is a chemical compound with molecular formula C11H8N4O5S and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Also Known As: 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide, BAS 00785332, 3-methyl-4-nitro-N-(5-nitrothiazol-2-yl)benzamide, 3-Methyl-4-nitro-N-(5-nitro-thiazol-2-yl)-benzamide, (3-methyl-4-nitrophenyl)-N-(5-nitro(1,3-thiazol-2-yl))carboxamide
| Molecular Formula | C11H8N4O5S |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 2.52022 |
| Topological Polar Surface Area | 128.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.02155 |
| Heavy Atoms | 21 |
| Complexity | 741.96484 |
Chemical Identifiers
| CAS Number | 333350-61-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CAS 333350-61-1), with molecular formula C11H8N4O5S and molecular weight 308.02 g/mol. IUPAC: 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
Chemical Property Profile of 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Property Insights of 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
The XLogP value of 2.52022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide. The TPSA of 128.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide has 1 hydrogen bond donor(s) and 7 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 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The CAS number of 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide is 333350-61-1.
What is the molecular formula of 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The molecular formula of 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide is C11H8N4O5S.
What is the molecular weight of 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The molecular weight of 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide is 308.02 g/mol.
Where can I buy 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
You can request a quote for 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.