3,5-Dinitro-4-(piperazin-1-yl)benzoic acid
TL;DR: 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid (CAS 300701-29-5) is a chemical compound with molecular formula C11H12N4O6 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-4-piperazin-1-ylbenzoic acid
Also Known As: 3,5-dinitro-4-(piperazin-1-yl)benzoic acid, 3,5-dinitro-4-piperazinylbenzoic acid, 3,5-dinitro-4-piperazin-1-ylbenzoic acid, 3,5-dinitro-4-piperazin-1-ylbenzoic acid hydrochloride, 3,5-bisnitro-4-(1-piperazinyl)benzoic acid
| Molecular Formula | C11H12N4O6 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 0.6108 |
| Topological Polar Surface Area | 138.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.07568 |
| Heavy Atoms | 21 |
| Complexity | 575.7262 |
Chemical Identifiers
| CAS Number | 300701-29-5 |
|---|---|
| SMILES | C1CN(CCN1)C2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-] |
Product Overview
3,5-Dinitro-4-(piperazin-1-yl)benzoic acid (CAS 300701-29-5), with molecular formula C11H12N4O6 and molecular weight 296.08 g/mol. IUPAC: 3,5-dinitro-4-piperazin-1-ylbenzoic acid.
Chemical Property Profile of 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid
Property Insights of 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid
The XLogP value of 0.6108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid. The TPSA of 138.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid. Following Lipinski's Rule of Five, 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid has 2 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 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid?
The CAS number of 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid is 300701-29-5.
What is the molecular formula of 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid?
The molecular formula of 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid is C11H12N4O6.
What is the molecular weight of 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid?
The molecular weight of 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid is 296.08 g/mol.
Where can I buy 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid?
You can request a quote for 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitro-4-(piperazin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.