NPPB
TL;DR: NPPB (CAS 107254-86-4) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
NPPB
5-nitro-2-(3-phenylpropylamino)benzoic acid
Also Known As: NPPB, 5-Nitro-2-(3-phenylpropylamino)benzoic acid, Compound 144, Hoechst 144, 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 377.0 |
| Solubility | >45 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 107254-86-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | WBSMIPAMAXNXFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NPPB (CAS 107254-86-4), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: 5-nitro-2-(3-phenylpropylamino)benzoic acid.
Chemical Property Profile of NPPB
Property Insights of NPPB
The XLogP value of 4.1 indicates that Nppb is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for NPPB. Following Lipinski's Rule of Five, Nppb 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 Nppb?
The CAS number of Nppb is 107254-86-4.
What is the molecular formula of Nppb?
The molecular formula of Nppb is C16H16N2O4.
What is the molecular weight of Nppb?
The molecular weight of Nppb is 300.11 g/mol.
Where can I buy Nppb?
You can request a quote for Nppb directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nppb?
Yes, KEHONG BIO provides custom synthesis services for Nppb and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.