![(4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/336/336177-07-2.png)
(4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 336177-07-2) is a chemical compound with molecular formula C15H14N4OS and molecular weight 298.09 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-(cyclopropyliminomethyl)-5-methyl-1H-pyrazol-3-one
Also Known As: (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylidene]-5-methylpyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylidene]-5-methylpyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylidene]-5-methylpyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(cyclopropylamino)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C15H14N4OS |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.08884 |
| Heavy Atoms | 21 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 336177-07-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C=NC4CC4 |
| InChIKey | OPTXTTUCGQBOSO-UHFFFAOYSA-N |
Product Overview
(4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one (CAS 336177-07-2), with molecular formula C15H14N4OS and molecular weight 298.09 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-(cyclopropyliminomethyl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one has 1 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 (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 336177-07-2.
What is the molecular formula of (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one is C15H14N4OS.
What is the molecular weight of (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one is 298.09 g/mol.
Where can I buy (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-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 (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-2-(1,3-Benzothiazol-2-yl)-4-[(cyclopropylamino)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.