1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol
TL;DR: 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol (CAS 312309-89-0) is a chemical compound with molecular formula C16H10N4O3S and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-1H-pyrazol-3-one
Also Known As: AB00083183-01, 1-benzothiazol-2-yl-3-(4-nitrophenyl)pyrazol-5-ol, 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol, 1-(benzo[d]thiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol, 1-(1,3-benzothiazol-2-yl)-3-{4-nitrophenyl}-1H-pyrazol-5-ol
| Molecular Formula | C16H10N4O3S |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 3.3505 |
| Topological Polar Surface Area | 93.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.04736 |
| Heavy Atoms | 24 |
| Complexity | 1075.2677 |
Chemical Identifiers
| CAS Number | 312309-89-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C=C(N3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol (CAS 312309-89-0), with molecular formula C16H10N4O3S and molecular weight 338.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-(4-nitrophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol
Property Insights of 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol
The XLogP value of 3.3505 indicates that 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol. Following Lipinski's Rule of Five, 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol 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 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol?
The CAS number of 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol is 312309-89-0.
What is the molecular formula of 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol?
The molecular formula of 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol is C16H10N4O3S.
What is the molecular weight of 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol?
The molecular weight of 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol is 338.05 g/mol.
Where can I buy 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol?
You can request a quote for 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.