1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one
TL;DR: 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one (CAS 726201-06-5) is a chemical compound with molecular formula C22H17N3OS and molecular weight 371.11 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-methyl-4-(naphthalen-1-ylmethyl)-4H-pyrazol-3-one
Also Known As: 1-benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one, 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(1-naphthylmethyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)-2,4-dihydro-3H-pyrazol-3-one, 1-(benzo[d]thiazol-2-yl)-3-methyl-4-(naphthalen-1-ylmethyl)-1H-pyrazol-5(4H)-one, 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)-4H-pyrazol-3-one
| Molecular Formula | C22H17N3OS |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 5.0309 |
| Topological Polar Surface Area | 45.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.10922 |
| Heavy Atoms | 27 |
| Complexity | 1172.1245 |
Chemical Identifiers
| CAS Number | 726201-06-5 |
|---|---|
| SMILES | CC1=NN(C(=O)C1CC2=CC=CC3=CC=CC=C32)C4=NC5=CC=CC=C5S4 |
Product Overview
1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one (CAS 726201-06-5), with molecular formula C22H17N3OS and molecular weight 371.11 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)-4H-pyrazol-3-one.
Chemical Property Profile of 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one
Property Insights of 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one
The XLogP value of 5.0309 indicates that 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.56 Ų, 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one?
The CAS number of 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one is 726201-06-5.
What is the molecular formula of 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one?
The molecular formula of 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one is C22H17N3OS.
What is the molecular weight of 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one?
The molecular weight of 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one is 371.11 g/mol.
Where can I buy 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one?
You can request a quote for 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzothiazol-2-yl-3-methyl-4-(naphthylmethyl)-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.