2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide
TL;DR: 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide (CAS 817569-00-9) is a chemical compound with molecular formula C12H12N4O4S and molecular weight 308.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide
Also Known As: 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide, 2-nitro-N-[(3-oxo-1-piperazinyl)carbonothioyl]benzamide, 2-nitro-N-[(3-oxopiperazin-1-yl)carbonothioyl]benzamide, 2-NITRO-N~1~-[(3-OXOPIPERAZINO)CARBOTHIOYL]BENZAMIDE
| Molecular Formula | C12H12N4O4S |
|---|---|
| Molecular Weight | 308.06 g/mol |
| LogP | 0.0413 |
| Topological Polar Surface Area | 104.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.05792 |
| Heavy Atoms | 21 |
| Complexity | 619.0299 |
Chemical Identifiers
| CAS Number | 817569-00-9 |
|---|---|
| SMILES | C1CN(CC(=O)N1)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide (CAS 817569-00-9), with molecular formula C12H12N4O4S and molecular weight 308.06 g/mol. IUPAC: 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide.
Chemical Property Profile of 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide
Property Insights of 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide
The XLogP value of 0.0413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide. The TPSA of 104.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide. Following Lipinski's Rule of Five, 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide has 2 hydrogen bond donor(s) and 5 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-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide?
The CAS number of 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide is 817569-00-9.
What is the molecular formula of 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide?
The molecular formula of 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide is C12H12N4O4S.
What is the molecular weight of 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide?
The molecular weight of 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide is 308.06 g/mol.
Where can I buy 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide?
You can request a quote for 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-(3-oxopiperazine-1-carbothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.