Niraxostat
TL;DR: Niraxostat (CAS 206884-98-2) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid
Also Known As: niraxostat, Piraxostat, niraxostatum, Niraxostat [INN], 1-[3-Cyano-4-(2,2-dimethyl-propoxy)-phenyl]-1H-pyrazole-4-carboxylic acid
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 206884-98-2 |
|---|---|
| SMILES | CC(C)(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(=O)O)C#N |
| InChIKey | AETHRPHBGJAIBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Niraxostat (CAS 206884-98-2), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]pyrazole-4-carboxylic acid.
Chemical Property Profile of Niraxostat
Property Insights of Niraxostat
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Niraxostat. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Niraxostat. Following Lipinski's Rule of Five, Niraxostat has 1 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 Niraxostat?
The CAS number of Niraxostat is 206884-98-2.
What is the molecular formula of Niraxostat?
The molecular formula of Niraxostat is C16H17N3O3.
What is the molecular weight of Niraxostat?
The molecular weight of Niraxostat is 299.13 g/mol.
Where can I buy Niraxostat?
You can request a quote for Niraxostat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Niraxostat?
Yes, KEHONG BIO provides custom synthesis services for Niraxostat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.