3-Nitro-4-piperazin-1-ylbenzamide
TL;DR: 3-Nitro-4-piperazin-1-ylbenzamide (CAS 335210-46-3) is a chemical compound with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-piperazin-1-ylbenzamide
Also Known As: 3-nitro-4-piperazin-1-ylbenzamide, p-Methylacetophenone oxime, CHEMBRDG-BB6636679, CHEMBRDG-BB 6636679, 3-nitro-4-(1-piperazinyl)benzamide
| Molecular Formula | C11H14N4O3 |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 0.1033 |
| Topological Polar Surface Area | 101.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.1066 |
| Heavy Atoms | 18 |
| Complexity | 483.1767 |
Chemical Identifiers
| CAS Number | 335210-46-3 |
|---|---|
| SMILES | C1CN(CCN1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] |
Product Overview
3-Nitro-4-piperazin-1-ylbenzamide (CAS 335210-46-3), with molecular formula C11H14N4O3 and molecular weight 250.11 g/mol. IUPAC: 3-nitro-4-piperazin-1-ylbenzamide.
Chemical Property Profile of 3-Nitro-4-piperazin-1-ylbenzamide
Property Insights of 3-Nitro-4-piperazin-1-ylbenzamide
The XLogP value of 0.1033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-piperazin-1-ylbenzamide. The TPSA of 101.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-piperazin-1-ylbenzamide. Following Lipinski's Rule of Five, 3-Nitro-4-piperazin-1-ylbenzamide 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 3-Nitro-4-piperazin-1-ylbenzamide?
The CAS number of 3-Nitro-4-piperazin-1-ylbenzamide is 335210-46-3.
What is the molecular formula of 3-Nitro-4-piperazin-1-ylbenzamide?
The molecular formula of 3-Nitro-4-piperazin-1-ylbenzamide is C11H14N4O3.
What is the molecular weight of 3-Nitro-4-piperazin-1-ylbenzamide?
The molecular weight of 3-Nitro-4-piperazin-1-ylbenzamide is 250.11 g/mol.
Where can I buy 3-Nitro-4-piperazin-1-ylbenzamide?
You can request a quote for 3-Nitro-4-piperazin-1-ylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-piperazin-1-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-piperazin-1-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.