2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide
TL;DR: 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide (CAS 79798-96-2) is a chemical compound with molecular formula C12H9N5O6S and molecular weight 351.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-amino-2-oxoethyl)-5-nitro-1,3-thiazol-2-ylidene]-3-nitrobenzamide
Also Known As: 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide, 2-((3-Nitrobenzoyl)imino)-5-nitro-4-thiazoline-3-acetamide, 3(2H)-Thiazoleacetamide, 5-nitro-2-((3-nitrobenzoyl)imino)-, 2-[(3-nitrobenzoyl)imino]-5-nitro-4-thiazoline-3-acetamide, N-[3-(2-amino-2-oxoethyl)-5-nitro-1,3-thiazol-2-ylidene]-3-nitrobenzamide
| Molecular Formula | C12H9N5O6S |
|---|---|
| Molecular Weight | 351.03 g/mol |
| LogP | 0.5924 |
| Topological Polar Surface Area | 163.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.02734 |
| Heavy Atoms | 24 |
| Complexity | 914.6574 |
Chemical Identifiers
| CAS Number | 79798-96-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N=C2N(C=C(S2)[N+](=O)[O-])CC(=O)N |
Product Overview
2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide (CAS 79798-96-2), with molecular formula C12H9N5O6S and molecular weight 351.03 g/mol. IUPAC: N-[3-(2-amino-2-oxoethyl)-5-nitro-1,3-thiazol-2-ylidene]-3-nitrobenzamide.
Chemical Property Profile of 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide
Property Insights of 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide
The XLogP value of 0.5924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide. The TPSA of 163.73 Ų indicates high polarity, suggesting 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide 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 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide?
The CAS number of 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide is 79798-96-2.
What is the molecular formula of 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide?
The molecular formula of 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide is C12H9N5O6S.
What is the molecular weight of 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide?
The molecular weight of 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide is 351.03 g/mol.
Where can I buy 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide?
You can request a quote for 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Nitrobenzoyl)imino)-5-nitro-3(2H)-thiazoleacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.