![(E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one structure](/static/products/371/371939-59-2.png)
(E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one
TL;DR: (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one (CAS 371939-59-2) is a chemical compound with molecular formula C18H22N4OS and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-(2-methylpropyliminomethyl)-5-propyl-1H-pyrazol-3-one
Also Known As: (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-methylpropylamino)methylidene]-5-propylpyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-methylpropylamino)methylidene]-5-propylpyrazol-3-one, 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(2-methylpropyl)imino]methyl}-3-propyl-1H-pyrazol-5-ol, 2-(1,3-benzothiazol-2-yl)-4-[(2-methylpropylamino)methylidene]-5-propylpyrazol-3-one
| Molecular Formula | C18H22N4OS |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.8027 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.15143 |
| Heavy Atoms | 24 |
| Complexity | 883.63666 |
Chemical Identifiers
| CAS Number | 371939-59-2 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NCC(C)C |
Product Overview
(E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one (CAS 371939-59-2), with molecular formula C18H22N4OS and molecular weight 342.15 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(2-methylpropyliminomethyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one
Property Insights of (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one
The XLogP value of 3.8027 indicates that (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one. Following Lipinski's Rule of Five, (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one has 1 hydrogen bond donor(s) and 4 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 (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one?
The CAS number of (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one is 371939-59-2.
What is the molecular formula of (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one?
The molecular formula of (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one is C18H22N4OS.
What is the molecular weight of (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one?
The molecular weight of (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one is 342.15 g/mol.
Where can I buy (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one?
You can request a quote for (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(benzo[d]thiazol-2-yl)-4-((isobutylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.