2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one
TL;DR: 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one (CAS 431074-72-5) is a chemical compound with molecular formula C17H13N3O2S and molecular weight 323.07 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-methoxyphenyl)-4H-pyrazol-3-one
Also Known As: BAS 03058246, 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one, 1-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-ol, 1-(benzo[d]thiazol-2-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5(4H)-one, 2-Benzothiazol-2-yl-5-(4-methoxy-phenyl)-2,4-dihydro-pyrazol-3-one
| Molecular Formula | C17H13N3O2S |
|---|---|
| Molecular Weight | 323.07 g/mol |
| LogP | 3.4459 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.07285 |
| Heavy Atoms | 23 |
| Complexity | 881.993 |
Chemical Identifiers
| CAS Number | 431074-72-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(=O)C2)C3=NC4=CC=CC=C4S3 |
Product Overview
2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one (CAS 431074-72-5), with molecular formula C17H13N3O2S and molecular weight 323.07 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one.
Chemical Property Profile of 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one
Property Insights of 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one
The XLogP value of 3.4459 indicates that 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one has 0 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 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one?
The CAS number of 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one is 431074-72-5.
What is the molecular formula of 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one?
The molecular formula of 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one is C17H13N3O2S.
What is the molecular weight of 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one?
The molecular weight of 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one is 323.07 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one?
You can request a quote for 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-yl)-5-(4-methoxyphenyl)-4H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.