![(E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one structure](/static/products/498/498538-40-2.png)
(E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one
TL;DR: (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one (CAS 498538-40-2) is a chemical compound with molecular formula C17H20N4OS and molecular weight 328.14 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-(propan-2-yliminomethyl)-5-propyl-1H-pyrazol-3-one
Also Known As: (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(propan-2-ylamino)methylidene]-5-propylpyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(propan-2-ylamino)methylidene]-5-propylpyrazol-3-one, 1-(1,3-benzothiazol-2-yl)-4-[(E)-(propan-2-ylimino)methyl]-3-propyl-1H-pyrazol-5-ol, 2-(1,3-benzothiazol-2-yl)-4-[(propan-2-ylamino)methylidene]-5-propylpyrazol-3-one
| Molecular Formula | C17H20N4OS |
|---|---|
| Molecular Weight | 328.14 g/mol |
| LogP | 3.5551 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.13577 |
| Heavy Atoms | 23 |
| Complexity | 867.84436 |
Chemical Identifiers
| CAS Number | 498538-40-2 |
|---|---|
| SMILES | CCCC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NC(C)C |
Product Overview
(E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one (CAS 498538-40-2), with molecular formula C17H20N4OS and molecular weight 328.14 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(propan-2-yliminomethyl)-5-propyl-1H-pyrazol-3-one.
Chemical Property Profile of (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one
Property Insights of (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one
The XLogP value of 3.5551 indicates that (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)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-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one. Following Lipinski's Rule of Five, (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)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-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one?
The CAS number of (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one is 498538-40-2.
What is the molecular formula of (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one?
The molecular formula of (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one is C17H20N4OS.
What is the molecular weight of (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one?
The molecular weight of (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one is 328.14 g/mol.
Where can I buy (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one?
You can request a quote for (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)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-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(benzo[d]thiazol-2-yl)-4-((isopropylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.