4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
TL;DR: 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one (CAS 84455-35-6) is a chemical compound with molecular formula C17H13N5OS and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yldiazenyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: EINECS 282-897-0, 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one, AE-641/00558005, 4-(1,3-benzothiazol-2-yldiazenyl)-5-methyl-2-phenyl-4H-pyrazol-3-one, 4-[2-(2-Benzothiazolyl)diazenyl]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
| Molecular Formula | C17H13N5OS |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 4.1713 |
| Topological Polar Surface Area | 70.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.08408 |
| Heavy Atoms | 24 |
| Complexity | 930.2861 |
Chemical Identifiers
| CAS Number | 84455-35-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4 |
Product Overview
4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one (CAS 84455-35-6), with molecular formula C17H13N5OS and molecular weight 335.08 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yldiazenyl)-5-methyl-2-phenyl-4H-pyrazol-3-one.
Chemical Property Profile of 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
Property Insights of 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
The XLogP value of 4.1713 indicates that 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one has 0 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-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one?
The CAS number of 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one is 84455-35-6.
What is the molecular formula of 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one?
The molecular formula of 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one is C17H13N5OS.
What is the molecular weight of 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one?
The molecular weight of 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one is 335.08 g/mol.
Where can I buy 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one?
You can request a quote for 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-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 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.