![2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol structure](/static/products/3025/302575-57-1.webp)
2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol
TL;DR: 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol (CAS 302575-57-1) is a chemical compound with molecular formula C23H16N4O4S and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-5-[(4-nitrophenyl)methoxy]phenol
Also Known As: 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol, 2-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-yl]-5-[(4-nitrobenzyl)oxy]phenol, 2-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-3-yl]-5-[(4-nitrophenyl)methoxy]phenol, (6Z)-6-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one, 6-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-[(4-nitrophenyl)methoxy]cyclohexa-2,4-dien-1-one
| Molecular Formula | C23H16N4O4S |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 5.5462 |
| Topological Polar Surface Area | 114.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.08923 |
| Heavy Atoms | 32 |
| Complexity | 1392.7593 |
Chemical Identifiers
| CAS Number | 302575-57-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(NN=C3)C4=C(C=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-])O |
Product Overview
2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol (CAS 302575-57-1), with molecular formula C23H16N4O4S and molecular weight 444.09 g/mol. IUPAC: 2-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-5-[(4-nitrophenyl)methoxy]phenol.
Chemical Property Profile of 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol
Property Insights of 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol
The XLogP value of 5.5462 indicates that 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol. Following Lipinski's Rule of Five, 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol?
The CAS number of 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol is 302575-57-1.
What is the molecular formula of 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol?
The molecular formula of 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol is C23H16N4O4S.
What is the molecular weight of 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol?
The molecular weight of 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol is 444.09 g/mol.
Where can I buy 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol?
You can request a quote for 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(benzo[d]thiazol-2-yl)-1H-pyrazol-3-yl)-5-((4-nitrobenzyl)oxy)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.