3-Nitro-2-piperazin-1-ylbenzoic acid
TL;DR: 3-Nitro-2-piperazin-1-ylbenzoic acid (CAS 374063-97-5) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-2-piperazin-1-ylbenzoic acid
Also Known As: 3-nitro-2-piperazin-1-ylbenzoic acid, 3-nitro-2-(piperazin-1-yl)benzoic acid, Benzoicacid, 3-nitro-2-(1-piperazinyl)-, 3-nitro-2-piperazinylbenzoic acid, 3-nitro-2-piperazin-1-yl-benzoic Acid
| Molecular Formula | C11H13N3O4 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 0.7026 |
| Topological Polar Surface Area | 95.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.0906 |
| Heavy Atoms | 18 |
| Complexity | 450.9267 |
Chemical Identifiers
| CAS Number | 374063-97-5 |
|---|---|
| SMILES | C1CN(CCN1)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O |
Product Overview
3-Nitro-2-piperazin-1-ylbenzoic acid (CAS 374063-97-5), with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol. IUPAC: 3-nitro-2-piperazin-1-ylbenzoic acid.
Chemical Property Profile of 3-Nitro-2-piperazin-1-ylbenzoic acid
Property Insights of 3-Nitro-2-piperazin-1-ylbenzoic acid
The XLogP value of 0.7026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-2-piperazin-1-ylbenzoic acid. The TPSA of 95.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-2-piperazin-1-ylbenzoic acid. Following Lipinski's Rule of Five, 3-Nitro-2-piperazin-1-ylbenzoic acid 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-2-piperazin-1-ylbenzoic acid?
The CAS number of 3-Nitro-2-piperazin-1-ylbenzoic acid is 374063-97-5.
What is the molecular formula of 3-Nitro-2-piperazin-1-ylbenzoic acid?
The molecular formula of 3-Nitro-2-piperazin-1-ylbenzoic acid is C11H13N3O4.
What is the molecular weight of 3-Nitro-2-piperazin-1-ylbenzoic acid?
The molecular weight of 3-Nitro-2-piperazin-1-ylbenzoic acid is 251.09 g/mol.
Where can I buy 3-Nitro-2-piperazin-1-ylbenzoic acid?
You can request a quote for 3-Nitro-2-piperazin-1-ylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-2-piperazin-1-ylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-2-piperazin-1-ylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.