4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol
TL;DR: 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol (CAS 476609-64-0) is a chemical compound with molecular formula C16H13N3O5 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-yl]benzene-1,3-diol
Also Known As: 4-[5-methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-yl]-1,3-Benzenediol, 4-[5-methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-yl]benzene-1,3-diol, (4Z)-3-hydroxy-4-[5-methyl-4-(4-nitrophenoxy)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one, 3-hydroxy-4-[5-methyl-4-(4-nitrophenoxy)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,5-dien-1-one, 4-(5-METHYL-4-(4-NITROPHENOXY)-1H-PYRAZOL-3-YL)-1,3-BENZENEDIOL
| Molecular Formula | C16H13N3O5 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 3.49682 |
| Topological Polar Surface Area | 121.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0855 |
| Heavy Atoms | 24 |
| Complexity | 902.5764 |
Chemical Identifiers
| CAS Number | 476609-64-0 |
|---|---|
| SMILES | CC1=C(C(=NN1)C2=C(C=C(C=C2)O)O)OC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol (CAS 476609-64-0), with molecular formula C16H13N3O5 and molecular weight 327.09 g/mol. IUPAC: 4-[5-methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-yl]benzene-1,3-diol.
Chemical Property Profile of 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol
Property Insights of 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol
The XLogP value of 3.49682 indicates that 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol. Following Lipinski's Rule of Five, 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol has 3 hydrogen bond donor(s) and 6 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 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol?
The CAS number of 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol is 476609-64-0.
What is the molecular formula of 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol?
The molecular formula of 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol is C16H13N3O5.
What is the molecular weight of 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol?
The molecular weight of 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol is 327.09 g/mol.
Where can I buy 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol?
You can request a quote for 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Methyl-4-(4-nitrophenoxy)-1H-pyrazol-3-YL)-1,3-benzenediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.